119061-16-4

Basic information

• Product Name: CHEMBRDG-BB 5870883
• Synonyms: CHEMBRDG-BB 5870883;2-(4-CHLOROPHENOXY)PENTANOIC ACID;2-(4-chlorophenoxy)pentanoic acid(SALTDATA: FREE)
• CAS NO: 119061-16-4
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.67
• Mol File: 119061-16-4.mol

Chemical Properties

• Boiling Point: 344.7°C at 760 mmHg
• Flash Point: 162.3°C
• Appearance: /
• Density: 1.226g/cm³
• Vapor Pressure: 2.46E-05mmHg at 25°C
• Refractive Index: 1.533
• CAS DataBase Reference: CHEMBRDG-BB 5870883(CAS DataBase Reference)
• NIST Chemistry Reference: CHEMBRDG-BB 5870883(119061-16-4)
• EPA Substance Registry System: CHEMBRDG-BB 5870883(119061-16-4)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• Hazardous Substances Data: 119061-16-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H13ClO3/c1-2-3-10(11(13)14)15-9-6-4-8(12)5-7-9/h4-7,10H,2-3H2,1H3,(H,13,14)

Upstream product

• 186581-53-3 diazomethane 

Relevant articles and documents

Direct resolution of α-monoalkyl-α-aryloxyacetic acids via ester or imide derivatives

This paper describes a simple procedure for the resolution of racemic α-monoalkyl α-aryloxyacetic acids, using the chromatographic separation of their covalent derivatives. (R)-Ethyl mandelate, (R)-pantolactone and (S)-4-(1-methylethyl)-2-oxazolidinone are the resolving agents involved in the formation of equimolecular diastereomeric mixtures of esters or imides. Chromatographic resolutions were performed by means of gas chromatography (GC), thin-layer chromatography (TLC) and flash chromatography. Successive hydrolysis of separated diastereomers provided optically pure aryloxyacetic acids.

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%.