m-Toluenesulfonyl fluoride

Base Information

• Chemical Name: m-Toluenesulfonyl fluoride
• CAS No.: 454-66-0
• Molecular Formula: C7H7FO2S
• Molecular Weight: 174.196
• European Community (EC) Number: 809-356-9
• NSC Number: 148299
• DSSTox Substance ID: DTXSID70302068
• Wikidata: Q82046592
• Mol file: 454-66-0.mol

Synonyms:m-Toluenesulfonyl fluoride;454-66-0;3-methylbenzenesulfonyl fluoride;3-Methylbenzene-1-sulfonyl fluoride;SCHEMBL4619061;DTXSID70302068;3-Methylbenzene-1-sulfonylfluoride;NSC148299;3-Methylbenzenesulfonyl fluoride, 95%;BY-0269;NSC-148299;EN300-344022;Z1862003147

Chemical Property of m-Toluenesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 0.0859mmHg at 25°C
• Boiling Point: 233.3°Cat760mmHg
• Flash Point: 94.9°C
• Density: 1.276g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.01507880
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)S(=O)(=O)F

Technology Process of m-Toluenesulfonyl fluoride

There total 10 articles about m-Toluenesulfonyl 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%

→ 3-methylbenzenesulfonyl fluoride (454-66-0)

Guidance literature:

Reference yield: 82.0%

Potassium; toluene-3-sulfonate (58730-68-0) → 3-methylbenzenesulfonyl fluoride (454-66-0)

Guidance literature:

With fluorosulphonic acid; for 1h; Ambient temperature;

Reference yield: 73.0%

C7H7O2S(1-)*BrMg(1+) → 3-methylbenzenesulfonyl fluoride (454-66-0)

Guidance literature:

With N-fluorobis(benzenesulfon)imide; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

DOI:10.1039/c6sc03924c

upstream raw materials:

sodium 3-methylbenzenesulfinate

Potassium; toluene-3-sulfonate

toluene

toluene-3-thiol

Refernces

• 1、 Cornella, Josep,Magre, Marc. "Redox-Neutral Organometallic Elementary Steps at Bismuth: Catalytic Synthesis of Aryl Sulfonyl Fluorides". supporting information. p. 21497 - 21502. Retrieved 2022/01/03.
• 2、 Davies, Alyn T.,Curto, John M.,Bagley, Scott W.,Willis, Michael C.. "One-pot palladium-catalyzed synthesis of sulfonyl fluorides from aryl bromides". . p. 1233 - 1237. Retrieved 2017/02/10.