2,4,6-Trimethylbenzenesulfonyl fluoride

Base Information

• Chemical Name: 2,4,6-Trimethylbenzenesulfonyl fluoride
• CAS No.: 384-98-5
• Molecular Formula: C9H11FO2S
• Molecular Weight: 202.25
• Hs Code.: 2904909090
• European Community (EC) Number: 809-227-7
• Nikkaji Number: J666.865H
• Mol file: 384-98-5.mol

Synonyms:2,4,6-trimethylbenzenesulfonyl fluoride;384-98-5;2-MESITYLENESULFONYL FLUORIDE;2,4,6-trimethylbenzene-1-sulfonyl fluoride;SCHEMBL16140106;AKOS022538359;2,4,6-TRIMETHYL-BENZENESULFONYLFLUORIDE;2,4,6-Trimethylbenzenesulfonyl fluoride, 95%;EN300-224438;2,4,6-TRIMETHYL-BENZENESULFONYL FLUORIDE;AG-690/11353088

Chemical Property of 2,4,6-Trimethylbenzenesulfonyl fluoride

Chemical Property:

• Melting Point: 65-70°C
• PSA: 42.52000
• LogP: 3.35080
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 202.04637893
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

2-MESITYLENESULFONYL FLUORIDE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)F)C
• Uses: Sulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.

Technology Process of 2,4,6-Trimethylbenzenesulfonyl fluoride

There total 11 articles about 2,4,6-Trimethylbenzenesulfonyl fluoride 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: 94.0%

2,4,6-trimethylbenzenesulfonate sodium salt (6148-75-0) → 2,4,6-trimethylbenzene-1-sulfonyl fluoride (384-98-5)

Guidance literature:

2,4,6-trimethylbenzenesulfonate sodium salt; With 1,3,5-trichloro-2,4,6-triazine; tetrabutylammomium bromide; In acetonitrile; at 60 ℃; for 12h;

With potassium hydrogen difluoride; In acetone; acetonitrile; at 20 ℃; for 12h;

DOI:10.1039/c9ra02531f

Reference yield: 93.0%

1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethylbenzene-1-sulfonyl fluoride (384-98-5)

Guidance literature:

With fluorosulphonic acid; at -10 ℃; for 3h;

Reference yield: 90.0%

2-mesitylenesulphonyl chloride (773-64-8) → 2,4,6-trimethylbenzene-1-sulfonyl fluoride (384-98-5)

Guidance literature:

With potassium hydrogen difluoride; In water; acetonitrile; at 20 ℃; for 12h;

DOI:10.1002/anie.202013976

upstream raw materials:

1,3,5-trimethyl-benzene

carbon monoxide

fluorosulphonic acid

2-mesitylenesulphonyl chloride

Downstream raw materials:

2,4,6-trimethyl-1,3-benzenedisulfonyl dichloride

3-nitro-2,4,6-trimethylbenzenesulfonyl fluoride

2,4,6,2',4',6'-Hexamethyl-biphenyl-3,3'-disulfonyl difluoride

5,7-Dimethyl-3H-benzo[c][1,2]oxathiole 1,1-dioxide