2-Chloro-4,5-dimethylbenzoic acid

Base Information

• Chemical Name: 2-Chloro-4,5-dimethylbenzoic acid
• CAS No.: 15089-74-4
• Molecular Formula: C9H9 Cl O2
• Molecular Weight: 184.622
• NSC Number: 409552
• DSSTox Substance ID: DTXSID20325282
• Wikidata: Q82085571
• Mol file: 15089-74-4.mol

Synonyms:2-chloro-4,5-dimethylbenzoic acid;15089-74-4;2-CHLORO-4,5-DIMETHYLBENZOICACID;NSC409552;SCHEMBL10628886;AMY7662;DTXSID20325282;AKOS006334807;NSC 409552;NSC-409552;CS-0223791;EN300-116658;Z1201628893

Chemical Property of 2-Chloro-4,5-dimethylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.000104mmHg at 25°C
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 149.7°C
• Density: 1.26g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)Cl)C(=O)O

Technology Process of 2-Chloro-4,5-dimethylbenzoic acid

There total 5 articles about 2-Chloro-4,5-dimethylbenzoic 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:

phosphoric acid (86119-84-8,7664-38-2) + 3,4-dimethyl-4-trichloromethyl-2,5-cyclohexadien-1-one (7499-12-9) → 4-chloro-1,2-dimethylbenzene (615-60-1) + 6-chloro-2,3-dimethyl-benzoic acid (5613-24-1) + 2-chloro-4,5-dimethylbenzoic acid (15089-74-4)

Guidance literature:

DOI:10.1021/ja01533a030

Reference yield:

3,4-dimethyl-4-trichloromethyl-2,5-cyclohexadien-1-one (7499-12-9) → 2-chloro-4,5-dimethylbenzoic acid (15089-74-4)

Guidance literature:

With PPA;

DOI:10.1021/ja01533a030

Reference yield:

3,4-Dimethylphenol (95-65-8) → 2-chloro-4,5-dimethylbenzoic acid (15089-74-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: polyphosphoric acid

With aluminium trichloride; PPA;

DOI:10.1021/ja01533a030

upstream raw materials:

3,4-dimethyl-4-trichloromethyl-2,5-cyclohexadien-1-one

1-(2-chloro-4,5-dimethyl-phenyl)-ethanone

phosphoric acid

3,4-Dimethylphenol

Downstream raw materials:

2-chloro-4,5-dimethyl-3-nitro-benzoic acid

2-amino-4,5-dimethylbenzoic acid