Benzenesulfonyl fluoride, 4-(1-methylethyl)-

Base Information

• Chemical Name: Benzenesulfonyl fluoride, 4-(1-methylethyl)-
• CAS No.: 4365-11-1
• Molecular Formula: C9H11FO2S
• Molecular Weight: 202.25
• Hs Code.: 2904909090
• Mol file: 4365-11-1.mol

Synonyms:p-cumenesulfonyl fluoride;

Chemical Property of Benzenesulfonyl fluoride, 4-(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 0.052mmHg at 25°C
• Refractive Index: n/D 1.4898
• Boiling Point: 242.81oC at 760 mmHg
• Flash Point: 100.648oC
• PSA: 42.52000
• Density: 1.188g/cm3
• LogP: 3.54900

Purity/Quality:

99% ^*data from raw suppliers

4-(1-Methylethyl)benzenesulfonyl fluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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 Benzenesulfonyl fluoride, 4-(1-methylethyl)-

There total 1 articles about Benzenesulfonyl fluoride, 4-(1-methylethyl)- 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:

Isopropylbenzene (98-82-8) → p-cumenesulfonic acid (16066-35-6) + cumenesulphonic acid (22033-07-4) + p-cumenesulfonyl fluoride (4365-11-1) + m-cumenesulfonyl fluoride (61128-12-9) + o-cumenesulfonyl fluoride (61128-11-8) + m-cumenesulfonic acid (22033-08-5)

Guidance literature:

With fluorosulphonic acid; at 55 ℃; for 1.5h; Product distribution; Thermodynamic data; other temperature, other reagent/educt ratio, other reaction time;

Reference yield: 54.0%

trifluoromethan (75-46-7) + p-cumenesulfonyl fluoride (4365-11-1) → 1-isopropyl-4-(trifluoromethylsulfonyl)benzene (1426923-07-0)

Guidance literature:

With tris(trimethylsilyl)amine; phosphazene base-P₄-tert-butyl; In hexane; N,N-dimethyl-formamide; at -10 ℃; Cooling with liquid nitrogen; Schlenk technique;

DOI:10.1002/open.201500160

upstream raw materials:

Isopropylbenzene

Downstream raw materials:

1-isopropyl-4-(trifluoromethylsulfonyl)benzene

Refernces

• 1、 Krylov, E. N.,Khokhlova, S. G.. "NATHAN-BAKER EFFECTS IN THE HETEROGENEOUS SULFONATION OF ALKYLBENZENES". . p. 341 - 343. Retrieved 2007/10/02.