3-(carboxymethyl)benzoic acid

Base Information

• Chemical Name: 3-(carboxymethyl)benzoic acid
• CAS No.: 2084-13-1
• Molecular Formula: C9H8 O4
• Molecular Weight: 180.16
• Hs Code.: 2917399090
• Mol file: 2084-13-1.mol

Synonyms:m-Toluicacid, a-carboxy- (6CI,7CI,8CI);3-Carboxymethylbenzoic acid; 3-Carboxyphenylacetic acid; Homoisophthalic acid;Isohomophthalic acid; NSC 108368; m-Carboxymethylbenzoic acid

Chemical Property of 3-(carboxymethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.48E-07mmHg at 25°C
• Melting Point: 185 °C
• Boiling Point: 412.8°Cat760mmHg
• PKA: 4.13±0.10(Predicted)
• Flash Point: 217.6°C
• PSA: 74.60000
• Density: 1.392g/cm³
• LogP: 1.01190
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%min ^*data from raw suppliers

3-(Carboxymethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(carboxymethyl)benzoic acid

There total 16 articles about 3-(carboxymethyl)benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

3-(cyanomethyl)benzonitrile (16532-78-8) → 3-carboxymethyl-benzoic acid (2084-13-1)

Guidance literature:

With hydrogenchloride; water; at 80 ℃; for 2h;

Reference yield: 90.0%

(3-cyano-phenyl)-acetic acid methyl ester (52798-00-2) → 3-carboxymethyl-benzoic acid (2084-13-1)

Guidance literature:

(3-cyano-phenyl)-acetic acid methyl ester; With sodium hydroxide; In methanol; at 90 ℃; for 16h;

With hydrogenchloride; In methanol; water; pH=Ca.3;

Reference yield: 68.0%

methyl 3-cyanomethylbenzoate (68432-92-8) → 3-carboxymethyl-benzoic acid (2084-13-1)

Guidance literature:

With sulfuric acid; water; at 160 ℃; for 3h;

upstream raw materials:

3-(cyanomethyl)benzonitrile

3-carboxymethylacetophenone

octane

n-pentylsodium

Downstream raw materials:

3-ethoxycarbonylphenylacetic acid ethyl ester

(3-carboxy-cyclohexyl)-acetic acid

(+/-)-(cis-3-carboxy-cyclohexyl)-acetic acid

(3-dimethylcarbamoyl-phenyl)-acetic acid dimethylamide

Refernces

• 1、 -. "NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1". . . Retrieved 2013/04/24.
• 2、 -. "SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS". Page/Page column 180-181. . Retrieved 2010/12/26.