4-Chloro-3-methylbenzoyl chloride

Base Information

• Chemical Name: 4-Chloro-3-methylbenzoyl chloride
• CAS No.: 21900-24-3
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10516682
• Wikidata: Q82378210
• Mol file: 21900-24-3.mol

Synonyms:4-Chloro-3-methylbenzoyl chloride;21900-24-3;4-chloro-3-methylbenzoylchloride;Benzoyl chloride, 4-chloro-3-methyl-;SCHEMBL2972020;DTXSID10516682;3-methyl-4-chlorobenzoyl chloride;NECBSSKNQDXVKN-UHFFFAOYSA-N;4-chloro-3-methyl-benzoyl chloride;WAA90024;4-chloranyl-3-methyl-benzoyl chloride;AKOS006308730;AS-33121;FT-0730134;A815741;A903974;A904862

Chemical Property of 4-Chloro-3-methylbenzoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 3.02740
• Sensitive.: Moisture Sensitive
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-3-methylbenzoylchloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)Cl)Cl

Technology Process of 4-Chloro-3-methylbenzoyl chloride

There total 5 articles about 4-Chloro-3-methylbenzoyl chloride 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: 79.0%

→ (3-(4-chloro-3-methyl-phenyl)-1-{3-[4-(2-cyano-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-oxo-acetic acid methyl ester (400802-56-4) + 3-methyl-4-chloro benzoylchloride (21900-24-3)

Guidance literature:

Reference yield:

4-chloro-3-methylbenzoic acid (7697-29-2) → 3-methyl-4-chloro benzoylchloride (21900-24-3)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01530a030

Reference yield:

oxalyl dichloride (79-37-8) + 4-chloro-3-methylbenzoic acid (7697-29-2) → 3-methyl-4-chloro benzoylchloride (21900-24-3)

Guidance literature:

With sodium hydroxide; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

4-chloro-3-methylbenzoic acid

2,4-dimethylchlorobenzene

4-(bromomethyl)-1-chloro-2-methylbenzene

oxalyl dichloride

Downstream raw materials:

(4-chloro-3-methyl-phenyl)-cyclohex-1-enyl ketone

(4-chloro-3-methylphenyl)(phenyl)methanone