Benzenesulfonyl fluoride, 3-(1-methylethyl)-

Base Information

• Chemical Name: Benzenesulfonyl fluoride, 3-(1-methylethyl)-
• CAS No.: 61128-12-9
• Molecular Formula: C9H11FO2S
• Molecular Weight: 202.25
• Mol file: 61128-12-9.mol

Synonyms:m-cumenesulfonyl fluoride;

Chemical Property of Benzenesulfonyl fluoride, 3-(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 0.035mmHg at 25°C
• Boiling Point: 250.08oC at 760 mmHg
• Flash Point: 105.045oC
• PSA: 42.52000
• Density: 1.188g/cm3
• LogP: 3.54900

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenesulfonyl fluoride, 3-(1-methylethyl)-

There total 2 articles about Benzenesulfonyl fluoride, 3-(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: 85.0%

3-isopropylphenylboronic acid (216019-28-2) → m-cumenesulfonyl fluoride (61128-12-9)

Guidance literature:

With potassium phosphate; sulfur dioxide; C₁₄H₉BiF₄O₂S*BF₃; Selectfluor; In chloroform-d1; [D₃]acetonitrile; at 70 ℃; for 16h; under 1125.11 Torr; Glovebox; Schlenk technique; Molecular sieve;

DOI:10.1021/jacs.1c11463

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;

upstream raw materials:

Isopropylbenzene

3-isopropylphenylboronic acid

Refernces

• 1、 Krylov, E.N.,Odintsova, G.N.. "SULFONATION OF CUMENE WITH SULFURIC AND HALOGENOSULFONIC ACIDS". . p. 1695 - 1701. Retrieved 2007/10/02.