2-Chloro-4-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Chloro-4-methylbenzoyl chloride
• CAS No.: 21900-53-8
• Molecular Formula: C₈H₆Cl₂O
• Molecular Weight: 189.041
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID701298592
• Mol file: 21900-53-8.mol

Synonyms:2-Chloro-4-methylbenzoyl chloride;21900-53-8;SCHEMBL670210;2-Chloro-4-methylbenzoylchloride;LTFBRIUWZRVMBV-UHFFFAOYSA-N;DTXSID701298592;MFCD12026281;AKOS006317455;EN300-1459135

Chemical Property of 2-Chloro-4-methylbenzoyl chloride

Chemical Property:

• XLogP3: 3.4
• 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:

99% ^*data from raw suppliers

2-Chloro-4-Methylbenzoylchloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-4-methylbenzoyl chloride

There total 1 articles about 2-Chloro-4-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:

2-chloro-4-methylbenzoic acid (7697-25-8) → 2-chloro-4-methyl-benzoyl chloride (21900-53-8)

Guidance literature:

With thionyl chloride;

Reference yield: 90.0%

2-chloro-4-methyl-benzoyl chloride (21900-53-8) + C11H10N2O4 → 1-(2-chloro-4-methylphenyl)-2-(2-(3-methoxy-5-nitrophenyl)oxazol-5-yl)ethanone

Guidance literature:

With iron(III) chloride; In N,N-dimethyl-formamide; at 60 ℃; for 4h;

Reference yield: 74.0%

5-(3,3-dimethyl-but-1-ynyl)-3-(trans-4-hydroxy-cyclohexylamino)-thiophene-2-carboxylic acid methyl ester + 2-chloro-4-methyl-benzoyl chloride (21900-53-8) → 3-{(2-chloro-4-methyl-benzoyl)-[trans-4-(2-chloro-4-methyl-benzoyloxy)-cyclohexyl]-amino}-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl ester

Guidance literature:

With pyridine; In toluene; at 100 ℃; Inert atmosphere;

upstream raw materials:

2-chloro-4-methylbenzoic acid

Downstream raw materials:

1-(2-chloro-4-methylphenyl)ethan-1-one

4-(4-chlorobenzoyl)-3-chlorotoluene

4-(4-chlorobenzoyl)-3-chlorobenzyl bromide

4-(4-chlorobenzoyl)-3-chlorobenzyl azide

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