Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-

Base Information

• Chemical Name: Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-
• CAS No.: 106904-10-3
• Molecular Formula: C8H6Cl2O3S
• Molecular Weight: 253.106
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30456278
• Wikidata: Q82278625
• Mol file: 106904-10-3.mol

Synonyms:106904-10-3;Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-;2-chloro-4-methylsulfonylbenzoyl chloride;2-chloro-4-(methylsulfonyl)benzoyl chloride;2-chloro-4-(methylsulphonyl)benzoyl chloride;2-Chloro-4-methanesulphonylbenzoyl chloride;SCHEMBL1016807;DTXSID30456278;CLCPHXRHYYEUME-UHFFFAOYSA-N;MFCD12025154;2-chloro-4-methanesulfonylbenzoyl chloride;2-chloro-4-methane-sulfonylbenzoyl chloride;2-chloro-4-methanesulfonyl-benzoyl chloride;Benzoyl chloride,2-chloro-4-(methylsulfonyl)-

Chemical Property of Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-

Chemical Property:

• PSA: 59.59000
• LogP: 3.20330
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.9414706
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

2-Chloro-4-(methylsulphonyl)benzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-

There total 5 articles about Benzoyl chloride, 2-chloro-4-(methylsulfonyl)- 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: 97.0%

2-chloro-4-(methanesulfonyl)benzoic acid (53250-83-2) → 2-chloro-4-(methylsulphonyl)benzoyl chloride (106904-10-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 0 - 50 ℃; for 27h;

Reference yield: 96.4%

2-chloro-4-methanesulfonyl-α,α,α-trichlorotoluene → 2-chloro-4-(methylsulphonyl)benzoyl chloride (106904-10-3)

Guidance literature:

With water; zinc(II) chloride; In tert-butyl methyl ether; at 80 ℃;

Reference yield:

1,2,4-Triazole (288-88-0) + 2-chloro-4-(methanesulfonyl)benzoic acid (53250-83-2) + 1,3-cylohexanedione (504-02-9) → 2-chloro-4-(methylsulphonyl)benzoyl chloride (106904-10-3)

Guidance literature:

With thionyl chloride; potassium carbonate; In water; acetonitrile;

upstream raw materials:

1,2,4-Triazole

2-chloro-4-(methanesulfonyl)benzoic acid

1,3-cylohexanedione

4-methylsulfonyl-1-methyl-2-chlorobenzene

Downstream raw materials:

8-bromo-2-[2-chloro-4-(methylsulfonyl)phenyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one

Refernces

• 1、 Dong, Ling,Gao, Xin-Yu,Li, An-Qi,Li, Jia-Hui,Li, Ran-Hong,Li, Sui-Xin,Wang, Jun,Wang, Yan,Wu, Yun-Peng. "Design, synthesis, herbicidal activity, in vivo enzyme activity evaluation and molecular docking study of acylthiourea derivatives as novel acetohydroxyacid synthase inhibitor". . . Retrieved 2021.
• 2、 -. "Pyrazole compound, salt and uses thereof,". Paragraph 0310-0313. . Retrieved 2020/04/02.