3-Amino-4-cyanobenzoic acid

Base Information

• Chemical Name: 3-Amino-4-cyanobenzoic acid
• CAS No.: 159847-71-9
• Molecular Formula: C8H6N2O2
• Molecular Weight: 162.148
• Hs Code.: 2926907090
• Mol file: 159847-71-9.mol

Synonyms:3-Amino-4-cyanobenzoic acid;4-Cyano-3-aminobenzoic acid

Chemical Property of 3-Amino-4-cyanobenzoic acid

Chemical Property:

• Boiling Point: 433.9±40.0 °C(Predicted)
• PKA: 3.70±0.10(Predicted)
• PSA: 87.11000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 1.41988
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% purity ^*data from raw suppliers

3-amino-4-cyanobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Amino-4-cyanobenzoic acid

There total 4 articles about 3-Amino-4-cyanobenzoic 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: 67.0%

3-amino-4-bromobenzoic acid (2840-29-1) + dicyanozinc (557-21-1) → 3-amino-4-cyanobenzoic acid (159847-71-9)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 20 - 100 ℃; for 15h;

Reference yield:

ethyl 3-amino-4-cyano-benzoate (1034470-00-2) → 3-amino-4-cyanobenzoic acid (159847-71-9)

Guidance literature:

ethyl 3-amino-4-cyano-benzoate; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 2h;

With water; citric acid; pH=3;

Reference yield:

2,5-dibromoaniline (3638-73-1) → 3-amino-4-cyanobenzoic acid (159847-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 29 percent / dimethylformamide / 21 h / 140 °C

2: 95 h / 30 °C / phosphate buffer pH 7.0, nitrilase SP 361

In N,N-dimethyl-formamide;

upstream raw materials:

2-aminoterephthalonitrile

2,5-dibromoaniline

ethyl 3-amino-4-cyano-benzoate

3-amino-4-bromobenzoic acid

Downstream raw materials:

3-sulfinylamino-4-cyanobenzoyl chloride

Refernces

• 1、 -. "PIPERIDINE DERIVATIVES FOR THE TREATMENT OF OBESITY". Page/Page column 218. . Retrieved 2008/12/06.
• 2、 Crosby, John,Moilliet, Jock,Parratt, Julian S.,Turner, Nicolas J.. "Regioselective Hydrolysis of Aromatic Dinitriles Using a Whole Cell Catalyst". . p. 1679 - 1688. Retrieved 2007/10/02.