Methanesulfinamide, 1,1,1-trifluoro-N-methyl-N-phenyl-

Base Information

• Chemical Name: Methanesulfinamide, 1,1,1-trifluoro-N-methyl-N-phenyl-
• CAS No.: 233593-25-4
• Molecular Formula: C8H8F3NOS
• Molecular Weight: 223.219
• DSSTox Substance ID: DTXSID20436544
• Nikkaji Number: J1.106.591K
• Mol file: 233593-25-4.mol

Synonyms:Methanesulfinamide, 1,1,1-trifluoro-N-methyl-N-phenyl-;233593-25-4;SCHEMBL7083323;DTXSID20436544;BLRTYLGGTMBGQF-UHFFFAOYSA-N;N-Methyl-N-phenyltrifluoromethanesulfinamide

Chemical Property of Methanesulfinamide, 1,1,1-trifluoro-N-methyl-N-phenyl-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 223.02786954
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methanesulfinamide, 1,1,1-trifluoro-N-methyl-N-phenyl-

There total 4 articles about Methanesulfinamide, 1,1,1-trifluoro-N-methyl-N-phenyl- 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: 87.0%

trimethyl(pentafluoroethyl)silane (124898-13-1) + N-phenylsulfinylamine (222851-56-1) + methyl iodide (74-88-4) → N-phenyl-N-methyltrifluoromethanesulfinyl amide (233593-25-4)

Guidance literature:

trimethyl(pentafluoroethyl)silane; N-phenylsulfinylamine; With tetramethylammonium fluoride; In tetrahydrofuran; at -80 - -60 ℃; for 2h;

methyl iodide;

DOI:10.1016/S0040-4039(02)00367-2

Reference yield: 70.0%

Langlois reagent (2926-29-6) + N-methylaniline (100-61-8) → N-phenyl-N-methyltrifluoromethanesulfinyl amide (233593-25-4)

Guidance literature:

With trichlorophosphate; In ethyl acetate; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(99)00364-6

Reference yield:

trifluoromethane sulfonyl chloride (421-83-0) + N-methylaniline (100-61-8) → N-phenyl-N-methyltrifluoromethanesulfinyl amide (233593-25-4)

Guidance literature:

With tricyclohexylphosphine; In dichloromethane; at -78 - 20 ℃; for 4h; regioselective reaction;

DOI:10.1016/j.jfluchem.2016.11.020

upstream raw materials:

Langlois reagent

N-methylaniline

trimethyl(pentafluoroethyl)silane

N-phenylsulfinylamine

Downstream raw materials:

1,1-diphenyl-2,2,2-trifluoroethanol

1-phenyl-2,2,2-trifluoromethylethanol

Refernces

• 1、 -. "Environment friendly reagents and process for halogenoalkylsulfinylation of organic compounds". . . Retrieved 2008/06/13.
• 2、 Billard, Thierry,Greiner, Alfred,Langlois, Bernard R.. "A new equivalent of the CF3S(O)+ cation. Synthesis of trifluoromethanesulfinates and trifluoromethanesulfinamides". . p. 7243 - 7250. Retrieved 2007/10/03.