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[ CAS No. 613-87-6 ] {[proInfo.proName]}

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Chemical Structure| 613-87-6
Chemical Structure| 613-87-6
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Product Details of [ 613-87-6 ]

CAS No. :613-87-6 MDL No. :MFCD00066207
Formula : C9H12O Boiling Point : No data available
Linear Structure Formula :- InChI Key :DYUQAZSOFZSPHD-VIFPVBQESA-N
M.W : 136.19 Pubchem ID :2734864
Synonyms :

Safety of [ 613-87-6 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 613-87-6 ]

* 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 [ 613-87-6 ]

[ 613-87-6 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 873-66-5 ]
  • [ 1565-74-8 ]
  • [ 613-87-6 ]
  • 2
  • [ 2114-29-6 ]
  • [ 1565-74-8 ]
  • [ 613-87-6 ]
  • (R)-1-phenylpropyl acetate [ No CAS ]
  • (S)-1-phenylpropyl acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With immobilized Candida rugosa lipase; In hexane; water; at 35℃; for 216h;Enzymatic reaction; General procedure: To a solution of appropriated ester/lactones (0.1 mmol) in n-hexane(2 ml), water (2.2 mmol, 4 mg, corresponding to 2%) and supportedlipase (50 mg of Im-LipG9, 20 mg of CALB and 120 mg of CRL all correspondingto 11 U of activity) were added and the reaction carried outat controlled temperature and 150 rpm. All reactions were carried outat 35 C and 150 rpm and their progress were monitored by GC chiralanalysis, according to Bandeira et al. [23].
  • 3
  • [ 93-54-9 ]
  • [ 613-87-6 ]
YieldReaction ConditionsOperation in experiment
47% With C46H34I4O6; 1,1,1,3,3,3-hexamethyl-disilazane; In dichloromethane; at -30℃; for 2h; At -30C racemic alcohol (1a) 1.0 mmol was dissolved in 5 ml dichloromethane, the compound of formula 2(wherein, R is I and n is 2; and pharmaceutically acceptable salts) as acatalyst and the addition of 1 mol% of silylating agent formula (5) (inthe formula, R4 is methyl) was stirredfor 2 hours. The residue was purified by flash chromatography (acetone / hexane/ triethylamine = 1: 5: 0.025) to give the chiral alcohol (2a, 47% yield 94%ee, (S)-form).
47% With C45H32I4O6; 1,1,1,3,3,3-hexamethyl-disilazane; In dichloromethane; at -30℃; for 2h; The racemic alcohol (1a) 1.0 mmol at-30 C as the catalyst was dissolved in 5 ml dichloromethane (wherein, R I andn is 2; and pharmaceutically acceptable salts thereof) compound of the formula(2) added to 1 mol%, and the formula (5) the silylating agent (in the formula,R is methyl) to 0.7 equivalents was stirred for 2 hours was added.The residue was purified by flash chromatography (acetone / hexane /triethylamine = 1: 5: 0.025) to give the chiral alcohol; to give the (2a, 47%yield 94% ee, (S) -form).
92%Chromat. With yeast culture of Rhodotorula glutinis KCh 242; In acetone; at 25℃; for 24h;Microbiological reaction; General procedure: Erlenmeyer flasks (300 ml), each containing 100 ml of the medium consisting of 3 g glucose and 1 g aminobac dissolved in water,were inoculated with a suspension of microorganisms and then incubated for 3-7 days at 25 C on a rotary shaker (190 rpm). After full growth of the culture 20 mg of a substrate dissolved in 1 ml of acetone was added. After 1, 3, 6, 9, 12 h and 1, 3, 6, 9 days of incubation under the above conditions, portions of 5 ml of the transformation mixture were taken out and extracted with CHCl3(3*10 ml). The extracts were dried over MgSO4, concentrated in vacuo, and analyzed by GC. All the experiments were repeatedthree times.
  • 4
  • [ 925-90-6 ]
  • [ 100-52-7 ]
  • [ 1565-74-8 ]
  • [ 613-87-6 ]
YieldReaction ConditionsOperation in experiment
General procedure: 0.5 mmol Poly-(S)-EFPO (4a) and EtMgBr (1M in THF; 2 mL, 2 mmol) was added to a solution of titanium tetraisopropoxide (1.5 mmol) in dry THF (16 mL) at0oC in an argon atmosphere. After stirring the reaction for 30 min at this temperature,it was slowly added (over a period of 2 h by using a syringe pump) to a solution of ZnCl2 (1 mmol) and benzaldehyde (0.106 g, 1.0 mmol) in THF (4 mL) at -15oC in an argon atmosphere and stirred for a further 24 h. The reaction mixture was then quenched by the addition of aqueous 1N HCl and extracted three times with Et2O.The organic layers were washed successively with aqueous 5% NaHCO3 and brine, dried (MgSO4), and concentrated in vacuo. The residue was added into 25 mL of methanol. The mixture was irradiated with ultrasound (53 W, 40 kHz) for 30 min and,then, filtrated. The filtrate was concentrated under reduced pressure and the residue was chromatographed on silica gel to obtain the addition product. The ee of the product was measured with chiral HPLC.
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