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Benzenepropanoic acid, α-(acetyloxy)-, ethyl ester, (S)-, also known as (S)-α-acetoxyethyl benzenepropanoate, is a chiral organic compound with the molecular formula C13H16O4. It is a derivative of benzenepropanoic acid, featuring an acetyloxy group at the α-position and an ethyl ester group. Benzenepropanoic acid, a-(acetyloxy)-, ethyl ester, (S)- is characterized by its asymmetric carbon atom, which gives rise to two enantiomers, (R)- and (S)- forms. The (S)-enantiomer is the focus of this summary. It is a colorless liquid with a fruity, floral odor and is used in the synthesis of various pharmaceuticals and fragrances. Due to its chiral nature, the (S)-enantiomer may exhibit different biological activities compared to its (R)-counterpart, making it an important compound in the field of stereochemistry and asymmetric synthesis.

956-27-4

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956-27-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 956-27-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,5 and 6 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 956-27:
(5*9)+(4*5)+(3*6)+(2*2)+(1*7)=94
94 % 10 = 4
So 956-27-4 is a valid CAS Registry Number.

956-27-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl (S)-2-acetoxy-3-phenylpropanoate

1.2 Other means of identification

Product number -
Other names 2-Acetoxy-3-phenyl-propionic acid ethyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:956-27-4 SDS

956-27-4Downstream Products

956-27-4Relevant academic research and scientific papers

Heavyweight "R-SMS-Phos" ligands in the olefins' hydrogenation arena

Zupancic, Borut,Mohar, Barbara,Stephan, Michel

supporting information; experimental part, p. 1296 - 1299 (2010/06/15)

"Chemical Equation Presented" A serles of enantiopure P-stereogenic 1,2-bis[(o-RO-phenyl)(phenyl)phosphino]ethane (R-SMS-Phos) ligands wherein R= i-Pr, i-Bu, tf-Bu, 3-Pen, and CH2TMS was assessed in the Rh(l)-catalyzed hydrogenation of an indic

DiPAMP's big brother "i-Pr-SMS-Phos" exhibits exceptional features enhancing rhodium(I)-catalyzed hydrogenation of olefins

Stephan, Michel,Sterk, Damjan,Mohar, Barbara

supporting information; scheme or table, p. 2779 - 2786 (2010/03/25)

Switching Knowles DiPAMP's {DiPAMP = l,2-bis[(o-anisyl)(phenyl)phosphino] ethane} MeO groups with i-PrO ones led to the iPr-SMS-Phos {i-Pr-SMS-Phos = l,2-bis[(o-isopropoxyphenyl)(phenyl)phosphino]ethane} ligand which displayed a boosted catalyst activity coupled with an enhanced enantioselectivity in the rhodium(I)catalyzed hydrogenation of a wide-range of representative olefinic substrates (dehydro-a-amido acids, itaconates, acrylates, enamides, enol acetates, α,α-diarylethylenes, etc). The rhodium(I)-(i-PrSMS-Phos) catalytic profile was investigated revealing its structural attributes and robustness, and in contrast to the usual trend, 31P NMR analysis revealed that its methyl (Z)-α-acetamidocinnamate (MAC) adduct consisted of a reversed diastereomeric ratio of 1.4:1 in favour of the most reactive diastereomer.

Enantioselectivity of Pseudomonas cepacia lipase for the acetylation of 2-hydroxy carboxylic acid esters+

Sundholm, Oskari,Kanerva, Liisa T.

, p. 625 - 640 (2007/10/03)

Structurally different ethyl or methyl 2-hydroxy carboxylates were resolved by Pseudomonas cepacia lipase-catalysed acetylations with vinyl acetate in diethylether. One type of the alcoholic substrates (2-hydroxy-2-arylacetates and 2-hydroxy-3-arylpropinates) contained a HO-group at the stereocentre. These compounds were resolved with high enantioselectivity (ee 91 → 99) at ca. 50% conversion. The other alcoholic substrates ((threo-2-hydroxy-3-methylbutyrate and threo- or erythro-2-hydroxy-3-aryl-3-arylthio(or aryloxy)propionates) with two stereocentres generally resulted in enantiopure products and the reactions stopped at 50 % conversion.

Synthesis and enantioselective hydrogenation of α-acyloxyacrylates

Schmidt,Langner,Kirschbaum,Braun

, p. 1138 - 1140 (2007/10/02)

Numerous α-acyloxyacrylates have been prepared by Wittig-Horner reaction of aldehydes and ethyl 2-acyloxy-2-(diethoxyphosphoryl)acetates which were easily obtained from glyoxylic acid hydrate. The formed α-acyloxyacrylates were subsequently hydrogenated enantioselectively using Rh-DIPAMP and Ru-BINAP (ee = 82-98%) to furnish the corresponding α-acyloxycarboxylates.

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