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[ CAS No. 57090-45-6 ] {[proInfo.proName]}

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Chemical Structure| 57090-45-6
Chemical Structure| 57090-45-6
Structure of 57090-45-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 57090-45-6 ]

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Product Details of [ 57090-45-6 ]

CAS No. :57090-45-6 MDL No. :MFCD00135169
Formula : C3H7ClO2 Boiling Point : -
Linear Structure Formula :- InChI Key :SSZWWUDQMAHNAQ-VKHMYHEASA-N
M.W : 110.54 Pubchem ID :148793
Synonyms :

Calculated chemistry of [ 57090-45-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 23.65
TPSA : 40.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.93
Log Po/w (XLOGP3) : -0.49
Log Po/w (WLOGP) : -0.42
Log Po/w (MLOGP) : -0.18
Log Po/w (SILICOS-IT) : 0.16
Consensus Log Po/w : 0.0

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.08
Solubility : 91.0 mg/ml ; 0.823 mol/l
Class : Very soluble
Log S (Ali) : 0.11
Solubility : 142.0 mg/ml ; 1.28 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.14
Solubility : 79.7 mg/ml ; 0.721 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.32

Safety of [ 57090-45-6 ]

Signal Word:Danger Class:8,6.1
Precautionary Statements:P261-P270-P202-P201-P271-P264-P280-P308+P313-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338+P310-P405-P501 UN#:2922
Hazard Statements:H300-H311-H332-H315-H318-H361 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 57090-45-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 57090-45-6 ]

[ 57090-45-6 ] Synthesis Path-Downstream   1~15

  • 1
  • barium D-3-chloropropane-1,2-diol-1-phosphate [ No CAS ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
  • 2
  • [ 96-24-2 ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
  • D-3-chloropropane-1,2-diol-1-phosphate [ No CAS ]
  • 3
  • [ 869-50-1 ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
  • 4
  • [ 78692-88-3 ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
  • 6
  • [ 96-24-2 ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
  • 7
  • [ 106-89-8 ]
  • [ 67843-74-7 ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
YieldReaction ConditionsOperation in experiment
26% With Aspergillus niger epoxide hydrolases immobilized onto modified Eupergit C; In aq. phosphate buffer; dimethyl sulfoxide; at 25℃; for 3h;pH 6.5;Enzymatic reaction;Kinetics; General procedure: Asymmetric hydrolysis of (R/S)-SO, (R/S)-PO and (R/S)-ECH were examined in a batch type reactor (1.1 cm × 5 cm). To 1.5 mL of 100 mM phosphate buffer (pH = 7.0 for the free and EHIL; pH = 6.5 for EHIF and EHIE), 100 L of the free EH solution (1 mg mL-1) or 30 mg of each immobilized EH was loaded and the mixture kept at 25 C for 2 min. The reaction was initiated by the addition 0.4 mL of each racemic epoxide solution (0.5 M in DMSO). A hundred microliters of aliquots withdrawn at different time intervals (15, 30,60, 90, 120, 180 and 240 min) were mixed with 400 L of diethylether and analyzed by a Shodex ORpak CDC-453 HQ chiral HPLC column (4.6 mm × 150 mm) according to Yildirim et al. [23]. The enantiomers of styrene oxide and their vicinal diols were detected at 220 nm. The enantiomers of propylene oxide, epichlorohydrin and their vicinal diols were detected using a refractive index detector (Shimadzu RID-10A). The optical configurations of remaining epoxides and formed diols were identified by comparing the retention time of these compounds with their optically active standard forms. The enantiomeric excess (ee) values of formed vicinal diol and remaining epoxide were calculated from the equations: eeepoxide=([S-R]epoxide)/([S+R]epoxide) and eediol=([R-S]diol)/([R+S]diol) The enantiomeric ratio values (E) of free and immobilized EHs were calculated from the equation proposed by Chen et al. [27]. E=(Vmax(R)/Km(R))/(Vmax(S)/Km(S)) where Vmax(R) and Km(R) values are maximum velocity and Michealis-Menten constant of free and immobilized EH preparations toward (R)-enantiomer of epoxide and Vmax(S) and Km(S) are corresponding values toward (S)-enantiomer of epoxide.
  • 9
  • [ 616-23-9 ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
  • (S)-1,3-dichloro-1-propanol [ No CAS ]
  • [ 106-89-8 ]
  • 12
  • [ 57090-45-6 ]
  • [ 6280-96-2 ]
  • (R)-3-(2-propoxyphenoxy)-propane-1,2-diol [ No CAS ]
  • 14
  • [ 24423-98-1 ]
  • [ 57090-45-6 ]
  • [ 60827-45-4 ]
YieldReaction ConditionsOperation in experiment
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With potassium dihydrogenphosphate; D-glucose; In water; at 30℃; for 24h;pH 5.5;Aqueous phophate buffer; Microbiological reaction; (Example 1) A liquid medium (pH 7.0) containing 4% of glucose, 0.3% of yeast extract, 1.3% of KH2PO4, 0.7% of (NH4)2HPO4, 0.01% of NaCl, 0.08% of MgSO4·7H2O, 0.006% of ZnSO4·7H2O, 0.009% of FeSO4·7H2O, 0.0005% of CuSO4·5H2O, and 0.001% of MnSO4·4-5H2O was prepared, and 5 ml of the liquid medium was injected into each of large test tubes and then sterilized with steam at 120C for 20 minutes. Then, one platinum loop of the microorganisms of each of the genera shown in Table 1 and 2 was inoculated into the liquid medium, and cultured with shaking at 30C for 2 to 3 days. Cells were collected from each of the culture broths by centrifugation, washed with water and then suspended in 1 ml of a 0.1M phosphate buffer (pH 5.5). Then, 0.5 ml of the cell suspension was mixed with 0.5 ml of a 0.1M KH2PO4 aqueous solution containing 5 mg of 1-chloro-3-hydroxyacetone and 20 mg of glucose, and the resultant mixture was placed in a test tube with a stopper and shaken at 30C for 24 hours. After completion of reaction, a saturated amount of ammonium sulfate was added to the reaction solution, and extraction was performed with an equivalent volume of ethyl acetate.
With D-glucose; NAD; In water; at 30℃; for 2h;Microbiological reaction; 5(Example 13) Method for synthesizing (S)-3-chloro1,2-propanediol[0091] Recombinant Escherichia coli HB101 (pNTCRG) Accession No. FERM BP-6898 were inoculated into 50 mlof sterilized 23YT medium (16 g of tryptone, 10 g of yeast extract, 5 g of sodium chloride, and 1L of water, pH 7.0before sterillization) in a 500 ml Sakaguchi flask, and cultured with shaking at 37C for 18 hours. Then, 10 mg of1-chloro-3-hydroxyacetone, 70 mg of NAD+, and 25 mg of glucose were added to 1 ml of the resultant culture broth,and the mixture was then stirred at 30C for 2 hours. After the reaction was completed, the conversion rate and opticalpurity of the reaction product (S)-3-chloro-1,2-propanediol were analyzed by the same method as in Example 9. As aresult, the conversion rate was 42.8%, and the optical purity was 45.8%ee.

  • 15
  • [ 51792-34-8 ]
  • [ 57090-45-6 ]
  • (S)-2-(chloromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine [ No CAS ]
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