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(S)-3-(4-methylphenyl)butanoic acid, also known as (S)-α-methylphenylbutyric acid, is a chiral organic compound with the molecular formula C11H14O2. It is a derivative of butanoic acid, featuring a 4-methylphenyl group attached to the third carbon. (S)-3-(4-methylphenyl)butanoic acid is an important intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the production of the anti-inflammatory drug ibuprofen and the herbicide fluazifop. The (S)-enantiomer is the biologically active form, making it a valuable target in the field of asymmetric synthesis. Its chemical structure and properties make it a versatile building block in the development of new drugs and chemicals.

1201-85-0

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1201-85-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1201-85-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,2,0 and 1 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1201-85:
(6*1)+(5*2)+(4*0)+(3*1)+(2*8)+(1*5)=40
40 % 10 = 0
So 1201-85-0 is a valid CAS Registry Number.

1201-85-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-3-(4-methylphenyl)butanoic acid

1.2 Other means of identification

Product number -
Other names (S)-(+)-3-p-tolylbutyric 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:1201-85-0 SDS

1201-85-0Relevant academic research and scientific papers

Diastereoselective hydrogenation of α,β-unsaturated but-2-enamides to access the chiral 3-(p-tolyl) butanoic acids

Jiménez, Jacqueline,López, Mildred,Carranza, Vladimir,Mendoza, Angel,Varela, Jenaro,Sansinenea, Estibaliz,Ortiz, Aurelio

, p. 235 - 239 (2016/12/28)

An alternative methodology for the synthesis of chiral 3-(p-tolyl) butanoic acids is presented. This was accomplished through the diastereoselective hydrogenation reaction of different chiral N-3-(p-tolyl) but-2-enamides, using Pd/C in EtOH, to produce the corresponding chiral N-3-(p-tolyl) butanamides with high chemical yields and moderate diastereomeric ratios. Removal of the chiral auxiliary from N-3-(p-tolyl) butanamides gave the respective enantiomerically pure acids.

Highly efficient Rh-catalyzed asymmetric hydrogenation of α,β-unsaturated nitriles

Yan, Qiaozhi,Kong, Duanyang,Li, Meina,Hou, Guohua,Zi, Guofu

, p. 10177 - 10181 (2015/09/01)

A highly efficient enantioselective hydrogenation of α,β-unsaturated nitriles catalyzed by Rh-(R,R)-f-spiroPhos complex has been developed. With Rh-(R,R)-f-spiroPhos catalyst and under mild conditions, a wide range of α,β-unsaturated nitriles including the (E)- and (Z)-isomers of 3-alkyl-3-aryl, 3,3-diaryl, and 3,3-dialkyl α,β-unsaturated nitriles were hydrogenated to the corresponding chiral nitriles with excellent enantioselectivities (up to 99.9% ee) and high turnover numbers (TON up to 10,000).

Lipase catalysed kinetic resolutions of 3-aryl alkanoic acids

Deasy, Rebecca E.,Brossat, Maude,Moody, Thomas S.,Maguire, Anita R.

, p. 47 - 61 (2011/04/18)

Hydrolase catalysed kinetic resolutions leading to a series of 3-aryl alkanoic acids (≥94% ee) are described. Hydrolysis of the ethyl esters with a series of hydrolases was undertaken to identify biocatalysts that yield the corresponding acids with excellent enantiopurity in each case. Steric and electronic effects on the efficiency and enantioselectivity of the biocatalytic transformation were also explored.

Total synthesis of (R)- and (S)-turmerone and (7S,9R)-bisacumol by an efficient chemoenzymatic approach

Kamal, Ahmed,Shaheer Malik,Azeeza, Shaik,Bajee, Shaik,Shaik, Ahmad Ali

experimental part, p. 1267 - 1271 (2009/10/17)

An enantioselective synthesis of (R)-, (S)-turmerone and (7S,9R)-bisacumol is described. The enantiomerically pure key intermediates, a substituted butanoate ester and acid are utilized in the synthesis of both enantiomers of turmerone. The lipase catalyzed resolution studies of the acetate of bisacumol have been exploited towards the total synthesis of the naturally occurring cytotoxic sesquiterpene, (7S,9R)-bisacumol with high diastereoselectivity (94% de).

Enantioselective synthesis of (R)- and (S)-curcumene and curcuphenol: an efficient chemoenzymatic route

Kamal, Ahmed,Malik, M. Shaheer,Shaik, Ahmad Ali,Azeeza, Shaik

, p. 2547 - 2553 (2008/03/15)

An efficient enantioselective synthesis of curcumene and curcuphenol is described. The key intermediates, substituted butanoates 7a and 7b and their acids 8a and 8b are obtained in high enantiopurity (>99% ee) by a lipase-catalyzed kinetic resolution proc

Determination of the Enantiomeric Excesses of Chiral Acids by 19F NMR Studies of their Esters deriving from (R)-(+)-2-(Trifluoromethyl)benzhydrol

Brown, Eric,Chevalier, Christelle,Huet, Francois,Grumelec, Christelle Le,Leze, Antoine,Touet, Joel

, p. 1191 - 1194 (2007/10/02)

15-Chiral acids were esterified with optically pure (R)-(+)-2-(trifluoromethyl)benzhydrol (R)-(+)-1, a readily available reagent.With respect to the carboxy group, the stereogenic centre is in the β-position in the case of the acids 5a-10a and 12a-16a, and in the α position in the case of the acids 17a-20a.The diastereomeric excesses of the corresponding esters 5b-10b and 12b-20b, respectively, were easily determined by means of 19F NMR.These d.e. values were in very good agreement with the e.e. values of the corresponding acids when the latter were known compounds.

Synthesis of (+)-Turmeronol A, an Inhibitor of Soybean Lipoxygenase, and (+)-ar-Turmerone

Kitahara, Takeshi,Furusho, Yoshio,Mori, Kenji

, p. 1137 - 1140 (2007/10/02)

Syntheses of optically pure turmeronol A and turmerone were achieved in a simple manner starting from ethyl (R)-3-hydroxybutanoate (4) of 100percent e.e.The key step was the displacement of the chiral tosylate (6) with an organocopper reagent.

ASYMMETRIC CONJUGATE ADDITION REACTION BY THE USE OF (S)-γ-TRITYLOXYMETHYL-γ-BUTYROLACTAM AS A CHIRAL AUXILIARY

Tomioka, Kiyoshi,Suenaga, Toshiro,Koga, Kenji

, p. 369 - 372 (2007/10/02)

(S)-γ-Trityloxymethyl-γ-butyrolactam (2) serves as a chiral auxiliary in the conjugate addition reaction of the corresponding imide (3) of α,β-unsaturated carboxylic acids with Grignard reagents in the presence of CuBr-SMe2 in THF to give, after hydrolysis, the β,β-disubstituted carboxylic acids (5) with predictable absolute configuration and high enantiomeric excess.

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