1-Hexanesulfonyl fluoride

Base Information

• Chemical Name: 1-Hexanesulfonyl fluoride
• CAS No.: 65269-96-7
• Molecular Formula: C₆H₁₃FO₂S
• Molecular Weight: 168.232
• European Community (EC) Number: 265-663-2
• UNII: SQ7HH9QP8J
• DSSTox Substance ID: DTXSID5070288
• Nikkaji Number: J307.357B
• Wikidata: Q81997531
• ChEMBL ID: CHEMBL96885
• Mol file: 65269-96-7.mol

Synonyms:1-Hexanesulfonyl fluoride;hexane-1-sulfonyl fluoride;65269-96-7;SQ7HH9QP8J;Hexane-1-sulphonyl fluoride;EINECS 265-663-2;Hexanesulfonyl fluoride;UNII-SQ7HH9QP8J;CHEMBL96885;SCHEMBL1471946;DTXSID5070288;C6-H13-F-O2-S;EN300-1450990

Chemical Property of 1-Hexanesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 0.161mmHg at 25°C
• Boiling Point: 221.2°C at 760 mmHg
• Flash Point: 87.6°C
• PSA: 42.52000
• Density: 1.092g/cm³
• LogP: 2.94680
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 168.06202899
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCS(=O)(=O)F

Technology Process of 1-Hexanesulfonyl fluoride

There total 4 articles about 1-Hexanesulfonyl 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: 90.0%

1-iodo-butane (542-69-8) + ethylenesulfonyl fluoride (677-25-8) → hexane-1-sulfonyl fluoride (65269-96-7)

Guidance literature:

With dimanganese decacarbonyl; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; In dimethyl sulfoxide; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1002/adsc.202000515

Reference yield: 72.0%

1-hexanesulfonyl chloride (14532-24-2) + 1,2,2-trifluoro-2-hydroxy-1-trifluoromethylethanesulfonic acid sultone (773-15-9) → chlorosulfuric acid pentafluoropropenyl ester (13002-01-2) + hexane-1-sulfonyl fluoride (65269-96-7)

Guidance literature:

at 80°C;

Reference yield:

1-hexanesulfonyl chloride (14532-24-2) → hexane-1-sulfonyl fluoride (65269-96-7)

Guidance literature:

With sodium fluoride; In acetone; for 3h; Heating;

DOI:10.1016/S0960-894X(00)00566-7

upstream raw materials:

1-hexanesulfonyl chloride

sodium hexyl sulfate

1,2,2-trifluoro-2-hydroxy-1-trifluoromethylethanesulfonic acid sultone

1-iodo-butane

Refernces

• 1、 Kokotos, George,Kotsovolou, Stavroula,Constantinou-Kokotou, Violetta,Wu, Gengshu,Olivecrona, Gunilla. "Inhibition of lipoprotein lipase by alkanesulfonyl fluorides". . p. 2803 - 2806. Retrieved 2007/10/03.