2-Chloro-5-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Chloro-5-methylbenzoyl chloride
• CAS No.: 21900-50-5
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• DSSTox Substance ID: DTXSID70567751
• Wikidata: Q82453756
• Mol file: 21900-50-5.mol

Synonyms:2-Chloro-5-methylbenzoyl chloride;21900-50-5;BENZOYL CHLORIDE, 2-CHLORO-5-METHYL-;SCHEMBL1489033;DTXSID70567751;DJBPCOCGEZHKMO-UHFFFAOYSA-N;AKOS040802625

Chemical Property of 2-Chloro-5-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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-5-methylbenzoyl chloride

There total 2 articles about 2-Chloro-5-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-5-methyl-benzoic acid (6342-60-5) → 2-chloro-5-methyl-benzoyl chloride (21900-50-5)

Guidance literature:

With thionyl chloride;

Reference yield:

para-chlorotoluene (106-43-4) → 2-chloro-5-methyl-benzoyl chloride (21900-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalic acid-dichloride; AlCl₃; carbon disulfide

2: thionyl chloride

With carbon disulfide; aluminium trichloride; thionyl chloride; oxalyl dichloride;

Reference yield: 64.0%

2-chloro-5-methyl-benzoyl chloride (21900-50-5) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-chloro-5-methyl-benzophenone (107410-52-6)

Guidance literature:

With aluminum (III) chloride; at 0 - 20 ℃; for 48h;

upstream raw materials:

2-chloro-5-methyl-benzoic acid

para-chlorotoluene

Downstream raw materials:

(3-Benzoyl-4-chloro-phenyl)-acetic acid

2-chloro-5-methyl-benzophenone

C₁₀H₁₀Cl₂N₂O₂

3-(4-chlorobenzoyl)-4-chlorotoluene

Refernces

• 1、 Getlik, Matth?us,Smil, David,Zepeda-Velázquez, Carlos,Bolshan, Yuri,Poda, Gennady,Wu, Hong,Dong, Aiping,Kuznetsova, Ekaterina,Marcellus, Richard,Senisterra, Guillermo,Dombrovski, Ludmila,Hajian, Taraneh,Kiyota, Taira,Schapira, Matthieu,Arrowsmith, Cheryl H.,Brown, Peter J.,Vedadi, Masoud,Al-Awar, Rima. "Structure-Based Optimization of a Small Molecule Antagonist of the Interaction between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1)". supporting information. p. 2478 - 2496. Retrieved 2016/04/10.
• 2、 -. "Non-nucleoside reverse transcriptase inhibitors". Page/Page column 74. . Retrieved 2010/02/08.