95335-46-9

Basic information

• Product Name: 2-(CHLOROMETHYL)PHENYLACETIC ACID
• Synonyms: 2-(CHLOROMETHYL)PHENYLACETIC ACID;3,4-Dimethyloxyphenylaceticacid;o-Chloro-methylphenyl acetic acid;2-(2-(chloroMethyl)phenyl)acetic acid;2-chloromethyl-phenylacetic acid methyl ester
• CAS NO: 95335-46-9
• Molecular Formula: C₉H₉ClO₂
• Molecular Weight: 184.62
• Mol File: 95335-46-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 323.754 °C at 760 mmHg
• Flash Point: 149.601 °C
• Appearance: /
• Density: 1.277 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 2-(CHLOROMETHYL)PHENYLACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(CHLOROMETHYL)PHENYLACETIC ACID(95335-46-9)
• EPA Substance Registry System: 2-(CHLOROMETHYL)PHENYLACETIC ACID(95335-46-9)

Safety Data

• Hazardous Substances Data: 95335-46-9(Hazardous Substances Data)

Usage

General Description

2-(Chloromethyl)phenylacetic acid is a chemical compound with the formula C9H9ClO2. It is a white crystalline powder that is soluble in organic solvents. It is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 2-(Chloromethyl)phenylacetic acid has been studied for its potential anti-inflammatory and analgesic properties. It is also used in the production of dyes and pigments. However, it is important to handle this compound with care, as it is toxic if ingested or inhaled, and may cause skin and eye irritation.

InChI:InChI=1/C9H9ClO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)

Upstream product

• 22364-68-7 2-tolylmethylnitrile 
• 552-45-4 1-chloromethyl-2-methylbenzene 
• 95-47-6 o-xylene 
• 644-36-0 o-methylphenylacetic acid 
• 91-13-4 α,α'-dibromo-o-xylene 
• 5707-27-7 1,2-bis(methoxymethyl)benzene 
• 408535-88-6 (2-methoxymethyl-phenyl)-acetonitrile 

Downstream Products

• 103-82-2 phenylacetic acid 
• 4385-35-7 isochroman-3-one 
• 95360-33-1 methyl 2-(chloromethyl)phenylacetate 
• 73389-76-1 2-(2-(morpholinomethyl)phenyl)acetic acid 

Relevant articles and documents

Synthesis method of 3-isochromanone

The invention belongs to the technical field of synthesis of organic intermediates, and particularly relates to a synthesis method of 3-isochromanone, which comprises the following steps of: (1) synthesizing o-methyl benzyl chloride by using o-xylene as a raw material; (2) synthesizing o-methyl benzyl cyanide by taking o-methyl benzyl chloride as a raw material; (3) synthesizing sodium o-methyl phenylacetate by taking o-methyl benzyl cyanide as a raw material; (4) synthesizing o-methyl phenylacetic acid by taking sodium o-methyl phenylacetate as a raw material; (5) synthesizing 2-chloromethylphenylacetic acid by taking o-methyl phenylacetic acid as a raw material; and (6) synthesizing 3-isochromanone by taking 2-chloromethyl phenylacetic acid as a raw material. The synthesis method of 3-isochromanone has the advantages of simple reaction process, easily available raw materials, mild reaction conditions, high product yield, low production cost, high yield, high product purity, good quality, low production waste discharge amount and the like, the product purity is greater than or equal to 99.5%, the production yield is greater than or equal to 92%, and the product meets the use requirements of foreign high-end users.

Process for preparing 3-isochromanone

3-Isochromanone is prepared by reacting o-tolyacetic acid with sulphuryl chloride in the presence of a free radical initiator, e.g. AIBN, followed by ring closure of the 2-chloromethylphenylacetic acid so formed with a base, e.g. potassium bicarbonate.