3-Amino-5-cyanobenzoic acid

Base Information

• Chemical Name: 3-Amino-5-cyanobenzoic acid
• CAS No.: 1000341-18-3
• Molecular Formula: C8H6N2O2
• Molecular Weight: 162.15
• Hs Code.: 2926907090
• Mol file: 1000341-18-3.mol

Synonyms:3-Amino-5-cyanobenzoic acid

Chemical Property of 3-Amino-5-cyanobenzoic acid

Chemical Property:

• PSA: 87.11000
• LogP: 1.41988

Purity/Quality:

98% ^*data from raw suppliers

3-Amino-5-cyanorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Amino-5-cyanobenzoic acid

There total 3 articles about 3-Amino-5-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: 78.0%

methyl 3-amino-5-cyanobenzoate (199536-01-1) → C8H6N2O2 (1000341-18-3)

Guidance literature:

With lithium hydroxide; In methanol; water; at 20 ℃; for 2h;

DOI:10.1002/chem.201503548

Reference yield: 77.0%

3-cyano-5-nitrobenzoic acid (98556-65-1) → C8H6N2O2 (1000341-18-3)

Guidance literature:

3-cyano-5-nitrobenzoic acid; With palladium 10% on activated carbon; ammonium formate; In water; at 90 ℃; for 21h;

With formic acid; In water;

DOI:10.1021/ml100056v

Reference yield:

methyl 3-cyano-5-nitrobenzoate (99066-80-5) → C8H6N2O2 (1000341-18-3)

Guidance literature:

Multi-step reaction with 2 steps

1: tin(II) chloride dihdyrate; acetic acid / ethyl acetate / 1.5 h / Reflux

2: lithium hydroxide / methanol; water / 2 h / 20 °C

With tin(II) chloride dihdyrate; acetic acid; lithium hydroxide; In methanol; water; ethyl acetate;

DOI:10.1002/chem.201503548

upstream raw materials:

3-cyano-5-nitrobenzoic acid

methyl 3-cyano-5-nitrobenzoate

methyl 3-amino-5-cyanobenzoate

Downstream raw materials:

C₂₄H₁₄N₄O₆

Refernces

• 1、 Nuss, Jonathan E.,Dong, Yuxiang,Wanner, Laura M.,Ruthel, Gordon,Wipf, Peter,Gussio, Rick,Vennerstrom, Jonathan L.,Bavari, Sina,Burnett, James C.. "Pharmacophore refinement guides the design of nanomolar-range botulinum neurotoxin serotype a light chain inhibitors". scheme or table. p. 301 - 305. Retrieved 2010/12/25.