95342-42-0

Basic information

• Product Name: Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (S)-
• Synonyms: (S)-2-(4-Chloro-phenoxy)-propionic acid methyl ester;methyl (S)-(-)-2-(4-chlorophenoxy)propanoate;(S)-methyl 2-(4-chlorophenoxy)propionate
• CAS NO: 95342-42-0
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.649
• Mol File: 95342-42-0.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (S)-(95342-42-0)
• EPA Substance Registry System: Propanoic acid, 2-(4-chlorophenoxy)-, methyl ester, (S)-(95342-42-0)

Safety Data

• Hazardous Substances Data: 95342-42-0(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 3307-39-9 2-(4-chlorophenoxy)propionic acid 
• 95262-84-3 2-(4-chlorophenoxy)propanoic acid methyl ester 
• 186581-53-3 diazomethane 
• 17392-83-5 (R)-Methyl lactate 
• 106-48-9 4-chloro-phenol 

Downstream Products

• 3307-39-9 (S)-2-(4-chlorophenoxy)propionic acid 

Relevant articles and documents

Identification of anthranilic acid derivatives as a novel class of allosteric inhibitors of hepatitis C NS5B polymerase

A series of potent anthranilic acid-based inhibitors of the hepatitis C NS5B polymerase has been identified. The inhibitors bind to a site on NS5B between the thumb and palm regions adjacent to the active site as determined by X-ray crystallography of the enzyme-inhibitor complex. Guided by both molecular modeling and traditional SAR, the enzyme activity of the initial hit was improved by approximately 100-fold, yielding a series of potent and selective NS5B inhibitors with IC50 values as low as 10 nM. These compounds were also inhibitors of the HCV replicon in cultured HUH7 cells.

Candida cylindracea lipase-mediated kinetic resolution of α-substituted α-aryloxyacetic acid methyl esters

Hydrolysis of several α-alkyl-α-aryloxyacetic acid methyl esters and of α-methyl-α-(n-propyl)-α-(p-chlorophenoxy)acetic acid methyl ester were performed in the presence of Candida cylindracea lipase. The α-alkyl-α-aryloxyacetic acid methyl esters and α-methyl-α-(n-propyl)-α-(p-chlorophenoxy)acetic acid methyl ester were incubated in buffer phosphate (pH 7-8). The reaction mixture, containing the unreacted ester and corresponding acid, showed enantiomeric excesses (ee) up to 81%. The extent of conversion was quite low for the α-methyl-α-(n-propyl)-α-(p-chlorophenoxy)acetic acid methyl ester, the corresponding acid was obtained with ee > 98%.

Enzyme catalysed hydrolysis of chlorophenoxypropionates

We report on the enzymatic hydrolysis of methyl 2-phenoxypropionate and of the following chlorinated derivatives: methyl o-chloro-, m-chloro-, p-chloro-, and o,p-dichloro-2-phenoxypropionates. α-Chymotripsyn, lipase, and pig liver esterase have an R enantioselectivity whereas subtilisin has an S enantioselectivity.Enantiomeric excess (e.e.) cover a wide range (from 5 to 100percent).