成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 32968-78-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 32968-78-8
Chemical Structure| 32968-78-8
Structure of 32968-78-8 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 32968-78-8 ]

Related Doc. of [ 32968-78-8 ]

Alternatived Products of [ 32968-78-8 ]
Product Citations

Product Details of [ 32968-78-8 ]

CAS No. :32968-78-8 MDL No. :MFCD09908038
Formula : C5H10ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :YEJFFQAGTXBSTI-HJXLNUONSA-N
M.W : 167.59 Pubchem ID :11205991
Synonyms :

Calculated chemistry of [ 32968-78-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 40.65
TPSA : 69.56 ?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) : -9.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -2.37
Log Po/w (WLOGP) : -0.79
Log Po/w (MLOGP) : -3.07
Log Po/w (SILICOS-IT) : -0.67
Consensus Log Po/w : -1.38

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.68
Solubility : 802.0 mg/ml ; 4.79 mol/l
Class : Highly soluble
Log S (Ali) : 1.45
Solubility : 4700.0 mg/ml ; 28.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.66
Solubility : 763.0 mg/ml ; 4.55 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.31

Safety of [ 32968-78-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 32968-78-8 ]

* 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 [ 32968-78-8 ]

[ 32968-78-8 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 14002-51-8 ]
  • [ 32968-78-8 ]
  • [ 643001-83-6 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; water; at 0 - 20℃; for 18h; To a solution of commercial L-beta-homohydroxyproline hydrochloride (245 mg, 1.35 mmol), triethylamine (1.13 ml, 8.09 mmol) in water (0.8 ml) and tetrahydrofuran (2 ml) at [0C] under argon, was added dropwise a solution of 4-phenylbenzoyl chloride (438 mg, 2.02 mmol) in tetrahydrofuran [(1] ml). The reaction mixture was allowed to warm to room temperature and was stirred 18 hours. It was then diluted with acetone-ethyl acetate (1-2) and washed with [HC1] [1N.] The organic phase was dried [(MGS04)] and concentrated to afford a mixture of desired product and 4-phenylbenzoyl acid. A small quantity of acid could be obtained by precipitation with ethyl acetate. ['H] NMR (DMSO): 1.82 (m, 1H), 2.11 (m, [1H),] 2.5 (m, [1H),] 2.81 (dd, J=15.6 Hz, [J=3.] 2, [1H),] 3.3 (m, [1H),] 3.51 (dd, [J=11.] 7 Hz, J=2.6 Hz, [1H),] 4.16 (m, [1H),] 4.40 (m, [1H),] 7. [30-8.] 00 (m, 9H). LC/MS: (ESI-): 280 (M-1-C02), 324 [(M-1)] (ESI+): 326 [(M+1)] HPLC purity: 84 %
  • 2
  • [ 24424-99-5 ]
  • [ 32968-78-8 ]
  • [ 74844-91-0 ]
YieldReaction ConditionsOperation in experiment
4.2 g (57%) With sodium hydroxide; In tetrahydrofuran; water; ethyl acetate; i 1-(tert-Butyl) 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate In a flask was dissolved <strong>[32968-78-8](2S,4R)-4-Hydroxy-proline hydrochloride</strong> (5.4 g, 30 mmole) in a mixture of THF (200 ml), water (170 ml) and NaOH (30 ml, 2 M in water, 60 mmole). To this emulsion was added di-tert-butyldicarbonate (Boc2O, 6.54 g, 30 mmole), and the mixture was stirred vigorously for 1 hour. Ether (100 ml) was added and the phases were allowed to separate. The aqueous phase was extracted with an additional 100 ml of ether. The aqueous phase was discarded and the combined organic phases were washed with IM HCl (aq.) and potassium carbonate (saturated, aq.) and brine. The extract was dried with Na2SO4 and was concentrated in vaccuo to give a residue, which was purified on silica (Heptane:EtOAc 5:1 to 3:1 to 1:1 stepwise gradient, spots visualized with I2/MeOH). Evaporation of pure fractions were concentrated in vaccuo to give 4.2 g (57%) of the subtitle compound as a colorless oil. 1H-NMR (400 MHz, CDCl3) delta: 4.50 (1H, bs); 4.45-4.35 (1H, m); 3.74 (3H, s); 3.64 (1H, dd, J 11.7, 4.3 Hz); 3.59-3.42 (1H, m); 2.35-2.20 (1H, m); 2.14-2.03 (1H, m); 1.97 (1H, dd, J 23.3, 3.7 Hz); 1.44 (9H, d, J 18.9 Hz)
  • 3
  • [ 31162-13-7 ]
  • [ 32968-78-8 ]
  • [ 166451-20-3 ]
  • 4
  • [ 117573-59-8 ]
  • [ 32968-78-8 ]
  • [ 923975-46-6 ]
  • 5
  • [ 32968-78-8 ]
  • [ 166117-56-2 ]
  • [ 923975-47-7 ]
  • 6
  • [ 32968-78-8 ]
  • [ 790684-90-1 ]
  • [ 1016556-99-2 ]
  • 7
  • [ 32968-78-8 ]
  • [ 51-35-4 ]
  • 8
  • [ 67-56-1 ]
  • [ 32968-78-8 ]
  • [ 40216-83-9 ]
YieldReaction ConditionsOperation in experiment
92% With thionyl chloride; at 0 - 20℃;Reflux; Example 1 : methyl ("2S,4R)-4-hvdroxy-2-pyrrolidinecarboxylate hydrochloride To a solution of (2S,4R)- 4-hydroxy-2-pyrrolidinecarboxylic acid hydrochloride (1.0 g, 7.6 mmol) in methanol (25 mL) at 0 C was added thionyl chloride (0.83 mL, 1 1.4 mmol). The reaction was warmed to room temperature and heated at reflux overnight. After cooling to room temperature, the reaction mixture was concentrated to dryness to give the title compound (1.2 g, 92%) as a white solid. lH NMR (300 MHz, DMSO-<) delta 9.99 (br. s, 2H), 5.58 (br. s, 1H), 4.49-4.41 (m, 2H), 3.75 (s, 3H), 3.38 (dd, 1H), 3.07 (d, 1H), 2.23-2.04 (m, 2H)
92% With thionyl chloride; at 0℃;Reflux; To a solution of <strong>[32968-78-8](2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid hydrochloride</strong> (1.0 g, 7.6 mmol) in methanol (25 mL) at 0 C. was added thionyl chloride (0.83 mL, 11.4 mmol). The reaction was warmed to room temperature and heated at reflux overnight. After cooling to room temperature, the reaction mixture was concentrated to dryness to give the title compound (1.2 g, 92%) as a white solid. 1H NMR (300 MHz, DMSO-d6) delta 9.99 (br. s, 2H), 5.58 (br. s, 1H), 4.49-4.41 (m, 2H), 3.75 (s, 3H), 3.38 (dd, 1H), 3.07 (d, 1H), 2.23-2.04 (m, 2H).
  • 9
  • [ 138512-74-0 ]
  • [ 32968-78-8 ]
  • 10
  • [ 364750-80-1 ]
  • [ 32968-78-8 ]
YieldReaction ConditionsOperation in experiment
31 g With hydrogenchloride; In diethyl ether; Step (i)[3]: To a stirred solution of NBoc diol (57 g, 262.52 mmol) in ether (150 mL) was addedHCl in ether (50 mL) and stirred for overnight. The white solid was filtered and washed withether (50 mL). The filtrate was kept at -0 oc for 6 hand the solid was filtered and washed withether (25 mL). Both batches were combined and dried in the presence of P20s under reducedpressure to constant weight 4 (31 g). 1H NMR (D20): 1.94-2.01 (m, 1H), 2.14-2.19 (m, 1H),3.30-3.48 (m, 2H), 3.71-3.76 (m, 1H), 3.93-4.08 (m, 2H), 4.67-4.75 (m, 1H).
  • 11
  • [ 40615-36-9 ]
  • [ 32968-78-8 ]
  • C26H27NO5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% Synthesis of compound 5; Step(ii)[1]: The reaction was performed in a 5 necked 15 L glass reactor fitted with an overheadstirrer over an ice bath. To a stirred solution of 4 (450 g, 2.94 mole) in acetonitrile (8 L) wereadded Et3N (1 L, 7.2 mole) and ethyl trifluoroacetate (1000 g, 7.04 mole), and stirred at room temperature overnight. The white solid (Et3N.HC1) was filtered over sintered funnel and washedwith ethyl acetate ( 4 L). The organic solution was concentrated followed by co-evaporationwith toluene (2 L x 2) and dried under reduced pressure overnight in a 22 L rotary evaporator toobtain crude product as a gummy mass ( -600 g). Step (ii)[2]: Above obtained crude compound (2.94 mole) was dissolved in 2 L of anhyd.pyridine and transferred to the four necked 15 L flask. Another 6 L of anhyd. pyridine wasadded. This solution was cooled to -5 oc using ice bath followed by addition of DMTr-Cl (1000g, 2.95) portion wise under nitrogen atmosphere over 20 min. and the reaction mixture wasstirred at room temperature overnight. 12 L of water was added while stirring and let it stand for6 h. The compound was settled at the bottom of the flask as a brownish gummy mass. Waterpyridinelayer was decanted using transfer pump and the aqueous layer was extracted with ethylacetate (2 x 5 L). Combined the ethyl acetate extract with the viscous material remained in thereactor, after decanting water layer. Concentration of the solvent gave the correspondingproduct as viscous oil which was used for the next step without purification. Step (ii)[3]: To a stirred solution of trifluoroacetyl compound (2.94 mole) in MeOH (5 L) wasadded KOH (330 g, 5.88 mole) dissolved in water (2 L) drop wise over 30 min. and stirred atroom temperature for 1 h. Concentrated to 3 L volume followed by addition of 15 L of waterand allowed to stand overnight. The product was settled at the bottom as reddish brown viscousoil. Decanted the water using transfer pump followed by addition of 6 L of DCM to dissolve,washed with 5 L of water and separated the organic solvent. Concentration of the solventfollowed by silica gel column chromatography ( 4 Kg silica, eluent: hexane/ethyl acetate andethyl acetate/MeOH) purification gave compound 5 (1000 g, 81 %) as foamy yellowish whitesolid. 1H NMR (CDCb): 1.35-1.42 (m, lH), 1.65-1.70 (m, lH), 2.33 (br s, lH), 2.59-2.62 (m,lH), 2.72-2.75 (m, lH), 2.82-2.91 (m, 2H), 3.36-3.41 (m,lH), 3.71 (s, 6H), 4.1 (br s, lH), 4.525(d, J = 4.0 Hz, lH).
  • 12
  • [ 1551527-41-3 ]
  • [ 32968-78-8 ]
  • C39H76N8O10*3ClH [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 32968-78-8 ]

Amino Acid Derivatives

Chemical Structure| 77449-94-6

[ 77449-94-6 ]

(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride

Similarity: 1.00

Chemical Structure| 441067-49-8

[ 441067-49-8 ]

(2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride

Similarity: 1.00

Chemical Structure| 142347-81-7

[ 142347-81-7 ]

trans-4-Hydroxy-D-proline hydrochloride

Similarity: 1.00

Chemical Structure| 618-27-9

[ 618-27-9 ]

(2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid

Similarity: 0.98

Chemical Structure| 51-35-4

[ 51-35-4 ]

(2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid

Similarity: 0.98

; ;