2-(3-cyanophenyl)benzoic Acid

Base Information

• Chemical Name: 2-(3-cyanophenyl)benzoic Acid
• CAS No.: 107916-96-1
• Molecular Formula: C₁₄H₉NO₂
• Molecular Weight: 223.231
• DSSTox Substance ID: DTXSID10374087
• Wikidata: Q82162573
• Mol file: 107916-96-1.mol

Synonyms:2-(3-cyanophenyl)benzoic Acid;107916-96-1;3'-Cyano-biphenyl-2-carboxylic acid;3'-Cyano-[1,1'-biphenyl]-2-carboxylic acid;SCHEMBL5085509;2-(3-cyanophenyl)-benzoic acid;DTXSID10374087;GWQJJXUNSIGDAC-UHFFFAOYSA-N;MFCD04117367;AKOS004118671;3'-cyano[1,1'-biphenyl]-2-carboxylic acid;BB 0223711;3'-Cyano-[1,1'-biphenyl]-2-carboxylicacid

Chemical Property of 2-(3-cyanophenyl)benzoic Acid

Chemical Property:

• Melting Point: 156-157 °C(Solv: water (7732-18-5))
• Boiling Point: 407.2±28.0 °C(Predicted)
• PKA: 3.69±0.36(Predicted)
• Density: 1.30±0.1 g/cm3(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 223.063328530
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

DP000118:3'-Cyano-biphenyl-2-carboxylicacid 96 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC(=C2)C#N)C(=O)O

Technology Process of 2-(3-cyanophenyl)benzoic Acid

There total 7 articles about 2-(3-cyanophenyl)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:

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) → 2-carboxy-3'-cyanobiphenyl (107916-96-1)

Guidance literature:

Multi-step reaction with 4 steps

2: aqueous NaOH

3: platinum; ethanol / Hydrogenation

4: Diazotization

With sodium hydroxide; ethanol; platinum;

DOI:10.1016/0040-4020(57)88048-X

Reference yield:

3-nitrobenzenediazonium (16278-29-8) → 2-carboxy-3'-cyanobiphenyl (107916-96-1)

Guidance literature:

Multi-step reaction with 4 steps

2: aqueous NaOH

3: platinum; ethanol / Hydrogenation

4: Diazotization

With sodium hydroxide; ethanol; platinum;

DOI:10.1016/0040-4020(57)88048-X

Reference yield:

3'-nitro-[1,1'-biphenyl]-2-carboxylic acid (37174-74-6) → 2-carboxy-3'-cyanobiphenyl (107916-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: platinum; ethanol / Hydrogenation

2: Diazotization

With ethanol; platinum;

DOI:10.1016/0040-4020(57)88048-X

upstream raw materials:

benzenedizolium-2-carboxylate

benzonitrile

3'-amino-biphenyl-2-carboxylic acid

benzoic acid methyl ester