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Benzenepropanoic acid, alpha-[(acetyloxy)methyl]- (9CI), also known as 3-(acetyloxy)methylbenzenepropanoic acid, is a chemical compound with the molecular formula C11H12O4. It is a derivative of benzenepropanoic acid, featuring an acetyloxymethyl group attached to the alpha carbon. Benzenepropanoic acid, -alpha--[(acetyloxy)methyl]- (9CI) is primarily used in the synthesis of various pharmaceuticals and chemical intermediates, particularly in the production of drugs that target the central nervous system. Its structure and properties make it a versatile building block in organic chemistry, allowing for the creation of a wide range of molecules with potential therapeutic applications.

187610-68-0

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187610-68-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 187610-68-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,7,6,1 and 0 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 187610-68:
(8*1)+(7*8)+(6*7)+(5*6)+(4*1)+(3*0)+(2*6)+(1*8)=160
160 % 10 = 0
So 187610-68-0 is a valid CAS Registry Number.

187610-68-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(acetoxymethyl)-3-phenyl-propanoic acid

1.2 Other means of identification

Product number -
Other names 3-acetoxy-2-benzylpropanoic acid

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:187610-68-0 SDS

187610-68-0Relevant academic research and scientific papers

Cleavage of β-lactone ring by serine protease. Mechanistic implications

Kim, Dong H.,Park, Jeong-il,Chung, Sang J.,Park, Jung Dae,Park, No-Kyung,Han, Jong Hoon

, p. 2553 - 2560 (2007/10/03)

Both enantiomers of 3-benzyl-2-oxetanone (1) were found to be slowly hydrolyzed substrates of α-chymotrypsin having kcat values of 0.134±0.008 and 0.105±0.004 min-1 for (R)-1 and (S)-1, respectively, revealing that α-CT is virtually unable to differentiate the enantiomers in the hydrolysis of 1. The initial step to form the acyl-enzyme intermediate by the attack of Ser-195 hydroxyl on the β-lactone ring at the 2-position in the hydrolysis reaction may not be enzymatically driven, but the relief of high ring strain energy of β-lactone may constitute a major driving force. The deacylation step is also attenuated, which is possibly due to the hydrogen bond that would be formed between the imidazole nitrogen of His-57 and the hydroxyl group generated during the acylation in the case of (R)-1, but in the α-CT catalyzed hydrolysis of (S)-1 the imidazole nitrogen may form a hydrogen bond with the ester carbonyl oxygen.

Amide Bond Replacements Incorporated into CCK-B Selective "Dipeptoids"

Fincham, Christopher I.,Higginbottom, Michael,Hill, David R.,Horwell, David C.,O'Toole, John C,et al.

, p. 1472 - 1484 (2007/10/02)

This paper describes the chemical synthesis and CCK-B and CCK-A receptor binding affinities of a series of compounds in which the central amide bond of the CCK-B "dipeptoid" ligand tricyclo3,7>dec-2-yl-21-(hydroxymethyl)-2

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