2-(Trifluoromethylsulfonyl)chlorobenzene

Base Information

• Chemical Name: 2-(Trifluoromethylsulfonyl)chlorobenzene
• CAS No.: 382-70-7
• Molecular Formula: C7H4ClF3O2S
• Molecular Weight: 244.622
• DSSTox Substance ID: DTXSID60402041
• Wikidata: Q82205392
• Mol file: 382-70-7.mol

Synonyms:2-(Trifluoromethylsulfonyl)chlorobenzene;382-70-7;1-chloro-2-trifluoromethanesulfonyl-benzene;1-chloro-2-(trifluoromethylsulfonyl)benzene;SCHEMBL4433417;DTXSID60402041;MFCD00804846;EU-0000237;SR-01000390075;SR-01000390075-1

Chemical Property of 2-(Trifluoromethylsulfonyl)chlorobenzene

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 243.9572627
• Heavy Atom Count: 14
• Complexity: 293

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(Trifluoromethylsulfonyl)chlorobenzene

There total 5 articles about 2-(Trifluoromethylsulfonyl)chlorobenzene 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: 64.0%

2,8-difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate (1961266-44-3) + 2-chlorophenylsulfonyl chloride (2905-23-9) → 1-chloro-2-(trifluoromethylsulfonyl)benzene (382-70-7)

Guidance literature:

2-chlorophenylsulfonyl chloride; With sodium hydrogencarbonate; sodium sulfite; In water; at 80 ℃; for 4h; Schlenk technique;

2,8-difluoro-5-(trifluoromethyl)-5Hdibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate; In dimethyl sulfoxide; at 25 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2019.151465

Reference yield: 40.0%

(2-chlorophenyl)(trifluoromethyl)sulfane (398-74-3) → 1-chloro-2-(trifluoromethylsulfonyl)benzene (382-70-7)

Guidance literature:

With chromium(VI) oxide; at 100 ℃;

DOI:10.1016/S0022-1139(00)80343-7

Reference yield:

trifluoromethylsulfonic anhydride (358-23-6) + chlorobenzene (108-90-7) → 1-chloro-2-(trifluoromethylsulfonyl)benzene (382-70-7)

Guidance literature:

With aluminium trichloride; In benzene; 25°C;

upstream raw materials:

(2-chlorophenyl)(trifluoromethyl)sulfane

2-iodochlorobenzene

trifluoromethylsulfonic anhydride

chlorobenzene

Downstream raw materials:

1-fluoro-2-[(trifluoromethyl)sulfonyl]benzene

2-Hydroxyphenyltrifluoromethylsulphone

2-Trifluormethylsulfonyl-phenylsulfensaeure-triphenylphosphoranylidenamid

2-Trifluormethylsulfonyl-phenylsulfensaeureamid

Refernces

• 1、 Zhou, Xiaocong,Hu, Dufen,He, Xinyi,Li, Yuanqiang,Chu, Youqun,She, Yuanbin. "Practical and efficient synthesis of aryl trifluoromethyl sulfones from arylsulfonyl chlorides with Umemoto's reagent II". supporting information. . Retrieved 2019/12/24.