1,2-Benzenedisulfonyl fluoride

Base Information

• Chemical Name: 1,2-Benzenedisulfonyl fluoride
• CAS No.: 115560-96-8
• Molecular Formula: C₆H₄F₂O₄S₂
• Molecular Weight: 242.224
• European Community (EC) Number: 808-329-9
• Mol file: 115560-96-8.mol

Synonyms:1,2-benzenedisulfonyl fluoride;115560-96-8;1,2-Benzenedisulfonyl difluoride;1,2-benzenedisulfonylfluoride;benzene-1,2-disulfonyl fluoride;SCHEMBL10381875;1, 2-Benzenedisulfonyl fluoride, 97%;BENZENE-1,2-DISULFONYL DIFLUORIDE;PD193154;EN300-727890

Chemical Property of 1,2-Benzenedisulfonyl fluoride

Chemical Property:

• Melting Point: 127-132°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 241.95190728
• Heavy Atom Count: 14
• Complexity: 349

Purity/Quality:

98%,99%, ^*data from raw suppliers

1, 2-Benzenedisulfonyl fluoride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)S(=O)(=O)F)S(=O)(=O)F
• 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 1,2-Benzenedisulfonyl fluoride

There total 2 articles about 1,2-Benzenedisulfonyl 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: 100.0%

→ benzene-1,2-disulfonyl difluoride (115560-96-8)

Guidance literature:

With potassium hydrogen difluoride; In water; acetonitrile; at 20 ℃; for 3h;

Reference yield: 88.0%

1,2-benzenedisulfonyl dichloride (6461-76-3) → benzene-1,2-disulfonyl difluoride (115560-96-8)

Guidance literature:

With potassium fluoride; dibenzo-18-crown-6; In acetonitrile; for 0.5h; Ambient temperature;

DOI:10.1021/jo00253a040

Reference yield: 80.0%

benzene-1,2-disulfonyl difluoride (115560-96-8) → 2-fluoro-benzenesulfonyl fluoride (52200-99-4)

Guidance literature:

With potassium fluoride; In sulfolane; at 200 - 215 ℃; for 0.75h;

DOI:10.1021/jo00253a040

upstream raw materials:

1,2-benzenedisulfonyl dichloride

Downstream raw materials:

2-fluoro-benzenesulfonyl fluoride

Refernces

• 1、 -. "Sulfur(VI) fluoride compounds and methods for the preparation thereof". Page/Page column 19; 20; 36; 45; 46. . Retrieved 2018/11/23.
• 2、 Puy, Michael Van Der. "Potassium Fluoride Catalyzed Fluorodesulfonylations of Aryl Sulfonyl Fluorides". . p. 4398 - 4401. Retrieved 2007/10/02.