Perfluoro methyl cyclohexane sulfonate

Base Information

• Chemical Name: Perfluoro methyl cyclohexane sulfonate
• CAS No.: 742-73-4
• Molecular Formula: C₇HF₁₃O₃S
• Molecular Weight: 412.128
• DSSTox Substance ID: DTXSID20867516
• Mol file: 742-73-4.mol

Synonyms:DTXSID20867516;742-73-4;SCHEMBL10226956;NOTIZSFOCIIJFB-UHFFFAOYSA-N;perfluoro methyl cyclohexane sulfonate;Perfluoro-p-methylcyclohexylsulfonic acid;1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexanesulfonic acid

Chemical Property of Perfluoro methyl cyclohexane sulfonate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 1
• Exact Mass: 411.9438812
• Heavy Atom Count: 24
• Complexity: 614

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F

Technology Process of Perfluoro methyl cyclohexane sulfonate

There total 1 articles about Perfluoro methyl cyclohexane sulfonate 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:

p-toluenesulfonyl chloride (98-59-9) → perfluoro(4-methylcyclohexane)sulfonic acid (742-73-4)

Guidance literature:

With hydrogen fluoride; Electrolysis_.anschl. Hydrolyse in wss. KOH;

Reference yield:

perfluoro(4-methylcyclohexane)sulfonic acid (742-73-4) → perfluoro(4-methylcyclohexane)sulfonic acid anhydride (4925-17-1)

Guidance literature:

With phosphorus pentachloride; at 225 ℃;

DOI:10.1021/jo01040a019

Reference yield:

perfluoro(4-methylcyclohexane)sulfonic acid (742-73-4) → perfluoro-4-methylcyclohexanesulfonylfluoride (1478-14-4)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / 225 °C

2: NaF / 220 °C

With phosphorus pentachloride; sodium fluoride;

DOI:10.1021/jo01040a019

upstream raw materials:

p-toluenesulfonyl chloride

Downstream raw materials:

perfluoro(4-methylcyclohexane)sulfonic acid anhydride

perfluoro-4-methylcyclohexanesulfonylfluoride

potassium 4-trifluoromethylperfluorocyclohexanesulfonate