2-Benzyl-4-chlorobenzoic acid

Base Information

• Chemical Name: 2-Benzyl-4-chlorobenzoic acid
• CAS No.: 81992-90-7
• Molecular Formula: C14H11ClO2
• Molecular Weight: 246.693
• DSSTox Substance ID: DTXSID10517093
• Wikidata: Q82378854
• Mol file: 81992-90-7.mol

Synonyms:2-benzyl-4-chlorobenzoic acid;81992-90-7;SCHEMBL979351;DTXSID10517093;KGHIGKJJSTWDMM-UHFFFAOYSA-N

Chemical Property of 2-Benzyl-4-chlorobenzoic acid

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.0447573
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)C(=O)O

Technology Process of 2-Benzyl-4-chlorobenzoic acid

There total 5 articles about 2-Benzyl-4-chlorobenzoic 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: 15.0%

2-Benzyl-4-chloro-N-phenyl-benzamide (183874-14-8) → 2-benzyl-4-chloro-benzoic acid (81992-90-7) + 3-chloro-9-anthrone (4888-00-0)

Guidance literature:

With sulfuric acid; In acetic acid; for 24h; Heating;

DOI:10.1007/BF00817261

Reference yield:

4-chlorobenzanilide (6833-15-4) → 2-benzyl-4-chloro-benzoic acid (81992-90-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 47 percent / n-BuLi / tetrahydrofuran / 1.) -78 deg C, 0.5 h; r.t., 1 h, 2.) -78 deg C, 1 h; r.t., 1 h

2: 72.9 percent / conc. H₂SO₄ / aq. acetic acid / 24 h / Heating

With n-butyllithium; sulfuric acid; In tetrahydrofuran; acetic acid;

DOI:10.1007/BF00817261

Reference yield:

copper(II) sulfate (7758-99-8) + 2-benzoyl-4-chlorobenzoic acid (33184-56-4) → 2-benzyl-4-chloro-benzoic acid (81992-90-7)

Guidance literature:

With hydrogenchloride; In ammonium hydroxide;

upstream raw materials:

2-Benzyl-4-chloro-N-phenyl-benzamide

carbon dioxide

2-benzyl-1-bromo-4-chlorobenzene

4-chlorobenzanilide

Downstream raw materials:

2-chloroanthracene-9,10-dione

2-Benzyl-4-chlorobenzyl alcohol

2-Benzyl-1-bromomethyl-4-chloro-benzene

(2-Benzyl-4-chloro-phenyl)-acetonitrile