4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline

Base Information

• Chemical Name: 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline
• CAS No.: 339104-66-4
• Molecular Formula: C13H10F3NS
• Molecular Weight: 269.29
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50380627
• Wikidata: Q82170964
• Mol file: 339104-66-4.mol

Synonyms:4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline;339104-66-4;4-[3-(trifluoromethyl)phenyl]sulfanylaniline;4-((3-(Trifluoromethyl)phenyl)thio)aniline;4-([3-(TRIFLUOROMETHYL)PHENYL]SULFANYL)ANILINE;SCHEMBL5019834;DTXSID50380627;MFCD00172345;AKOS005071323;9G-325S;SB81847;CS-0332752;J-513145;4-{[3-(trifluoromethyl)phenyl]sulfanyl}aniline, 95%

Chemical Property of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline

Chemical Property:

• Melting Point: 67-69°C
• PSA: 51.32000
• LogP: 5.02000
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 269.04860498
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-3'-(trifluoromethyl)diphenyl sulfide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)SC2=CC=C(C=C2)N)C(F)(F)F

Technology Process of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline

There total 1 articles about 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline 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:

m-trifluoromethylphenyl iodide (401-81-0) + p-aminoiodobenzene (540-37-4) → C13H10F3NS (339104-66-4)

Guidance literature:

p-aminoiodobenzene; With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide; In water; dimethyl sulfoxide; at 110 ℃; for 8h; Inert atmosphere;

m-trifluoromethylphenyl iodide; In water; dimethyl sulfoxide; N,N-dimethyl-formamide; at 120 ℃; for 18h; Inert atmosphere;

DOI:10.1039/C8MD00462E

Reference yield:

C13H10F3NS (339104-66-4) → 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(4-((3-(trifluoromethyl)phenyl)thio)phenyl)acetamide

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0 °C

2.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.5 h / 20 °C

2.2: 12 h / 20 °C

With potassium tert-butylate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1039/C8MD00462E

upstream raw materials:

m-trifluoromethylphenyl iodide

p-aminoiodobenzene

Refernces