(3-Chloro-4-fluorophenyl)methanesulfonyl chloride

Base Information

• Chemical Name: (3-Chloro-4-fluorophenyl)methanesulfonyl chloride
• CAS No.: 1211516-98-1
• Molecular Formula: C₇H₅Cl₂FO₂S
• Molecular Weight: 243.086
• European Community (EC) Number: 866-306-9
• Mol file: 1211516-98-1.mol

Synonyms:(3-CHLORO-4-FLUOROPHENYL)METHANESULFONYL CHLORIDE;1211516-98-1;SCHEMBL4777793;AKOS006335210;CS-0230500;EN300-104228;(3-CHLORO-4-FLUOROPHENYL)METHANESULFONYLCHLORIDE

Chemical Property of (3-Chloro-4-fluorophenyl)methanesulfonyl chloride

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.9371341
• Heavy Atom Count: 13
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

(3-Chloro-4-fluorophenyl)methanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CS(=O)(=O)Cl)Cl)F
• Uses: (3-chloro-4-fluorophenyl)methanesulfonyl chloride is a reagent in the rhodium-catalyzed meta-C-H functionalization of arenes.

Technology Process of (3-Chloro-4-fluorophenyl)methanesulfonyl chloride

There total 1 articles about (3-Chloro-4-fluorophenyl)methanesulfonyl 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-(chloromethyl)-1-fluorobenzene (2994-69-6) → C7H5Cl2FO2S (1211516-98-1)

Guidance literature:

2-chloro-4-(chloromethyl)-1-fluorobenzene; With thiourea; In ethanol; at 96 ℃;

With hydrogenchloride; In water; acetonitrile; at 0 ℃; for 0.25h;

With N-chloro-succinimide; In water; acetonitrile; at 20 ℃;

DOI:10.1002/anie.201701579

Reference yield:

2-hydroxy-4 methoxybenzonitrile (39835-11-5) + C7H5Cl2FO2S (1211516-98-1) → C20H17ClFNO6S

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: copper dichloride; trifluoroacetic acid; chloro(1,5-cyclooctadiene)rhodium(I) dimer; vanadia; XPhos / 1,2-dichloro-ethane / 36 h / 120 °C

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; vanadia; trifluoroacetic acid; copper dichloride; XPhos; In tetrahydrofuran; 1,2-dichloro-ethane;

DOI:10.1002/anie.201701579

Reference yield:

2-hydroxy-4 methoxybenzonitrile (39835-11-5) + C7H5Cl2FO2S (1211516-98-1) → 2-cyano-5-methoxyphenyl (3-chloro-4-fluoro-5-(trimethylsilyl)phenyl)methanesulfonate

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 20 °C / Inert atmosphere

2: palladium diacetate; N-acetylglycine; silver carbonate; sodium sulfate / 48 h / 45 - 65 °C / Molecular sieve

With palladium diacetate; sodium sulfate; triethylamine; silver carbonate; N-acetylglycine; In dichloromethane;

DOI:10.1021/acs.organomet.7b00309

upstream raw materials:

2-chloro-4-(chloromethyl)-1-fluorobenzene

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