Trifluoro-N-phenylethanethioamide

Base Information

• Chemical Name: Trifluoro-N-phenylethanethioamide
• CAS No.: 61881-11-6
• Molecular Formula: C8H6F3NS
• Molecular Weight: 205.204
• DSSTox Substance ID: DTXSID20573367
• Wikidata: Q82462082
• Mol file: 61881-11-6.mol

Synonyms:Trifluoro-N-phenylethanethioamide;61881-11-6;SCHEMBL5946044;DTXSID20573367;OKJMKOCJFUZEIY-UHFFFAOYSA-N

Chemical Property of Trifluoro-N-phenylethanethioamide

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 205.01730486
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trifluoro-N-phenylethanethioamide

There total 5 articles about Trifluoro-N-phenylethanethioamide 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: 90.0%

(trifluoromethyl)trimethylsilane (81290-20-2) + phenyl isothiocyanate (103-72-0) → 2,2,2-trifluoro-N-phenylethanethioamide (61881-11-6)

Guidance literature:

With tetramethylammonium fluoride; In 1,2-dimethoxyethane; at -60 - 20 ℃;

DOI:10.1016/S0040-4039(01)01764-6

Reference yield: 69.0%

1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + (E)-N-benzylidenebenzenamine (1750-36-3,33993-35-0,538-51-2,137431-97-1,137432-04-3) → 2,2,2-trifluoro-N-phenylethanethioamide (61881-11-6)

Guidance literature:

With potassium phosphate; 1,10-Phenanthroline; silver fluoride; sulfur; copper(l) chloride; In 1,4-dioxane; water; at 120 ℃; for 4h;

Reference yield: 62.0%

1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + benzylidene phenylamine (538-51-2) → 2,2,2-trifluoro-N-phenylethanethioamide (61881-11-6)

Guidance literature:

With sulfur; potassium phosphate; 1,10-Phenanthroline; water; magnesium sulfate; copper(l) chloride; In 1,4-dioxane; at 120 ℃; for 4h; Reagent/catalyst; Solvent; Catalytic behavior; Schlenk technique;

DOI:10.1016/j.jfluchem.2020.109640

upstream raw materials:

2,2,2-trifluoro-N-phenylacetamide

(trifluoromethyl)trimethylsilane

phenyl isothiocyanate

2,2,2-trifluoro-N-phenyl-acetimidoyl chloride

Downstream raw materials:

Methyl-N-phenyltrifluoracetimidat

bis(N-phenyltrifluoroacetimidoyl) disulfide

2,2,2-trifluoro-N-phenylacetamide

2-(trifluoromethyl)-1,3-benzothiazole