4-(Difluoromethylthio)aniline

Base Information

• Chemical Name: 4-(Difluoromethylthio)aniline
• CAS No.: 24933-60-6
• Molecular Formula: C7H7F2NS
• Molecular Weight: 175.202
• Hs Code.: 2930909090
• European Community (EC) Number: 825-495-8
• DSSTox Substance ID: DTXSID50395079
• Wikidata: Q82194884
• Mol file: 24933-60-6.mol

Synonyms:24933-60-6;4-(Difluoromethylthio)aniline;4-[(difluoromethyl)sulfanyl]aniline;4-(difluoromethylsulfanyl)aniline;4-((DIFLUOROMETHYL)THIO)ANILINE;4-Difluoromethylsulfanyl-phenylamine;4-[(Difluoromethyl)sulphanyl]aniline;C7H7F2NS;p-(difluoromethylthio)aniline;SCHEMBL2286241;4-Difluoromethylsulfanyl-aniline;DTXSID50395079;MFCD01074361;STL215525;4-(Difluoromethyl)sulfanyl-phenylamine;AKOS000115560;AT20968;PS-8601;FT-0692389;EN300-02299;A817561

Chemical Property of 4-(Difluoromethylthio)aniline

Chemical Property:

• Vapor Pressure: 0.0518mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 234.8 °C at 760 mmHg
• Flash Point: 95.8 °C
• PSA: 51.32000
• Density: 1.29 g/cm³
• LogP: 3.16470
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 175.02672673
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

98%Min ^*data from raw suppliers

4-[(difluoromethyl)sulfanyl]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)SC(F)F

Technology Process of 4-(Difluoromethylthio)aniline

There total 8 articles about 4-(Difluoromethylthio)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: 88.0%

bis(4-aminophenyl)disulfide (722-27-0) + 2,2-difluoro-1,3-diphenyl-1,3-propanedione (365-00-4) → 4-difluoromethylsulfanylaniline (24933-60-6)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 12h;

DOI:10.1021/acs.orglett.5b03654

Reference yield: 49.0%

(Difluoromethyl)triphenylphosphonium bromide (58310-28-4) + 4-aminotiophenol (1193-02-8) → 4-difluoromethylsulfanylaniline (24933-60-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; chemoselective reaction; Irradiation;

DOI:10.1021/acs.orglett.7b02109

Reference yield:

1-[(difluoromethyl)thio]-4-nitrobenzene (24933-57-1) → 4-difluoromethylsulfanylaniline (24933-60-6)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

upstream raw materials:

1-[(difluoromethyl)thio]-4-nitrobenzene

sodium 4-nitrobenzenethiolate

N-(4-((difluoromethyl)thio)phenyl)acetamide

4-aminotiophenol

Downstream raw materials:

4-difluoromethylthiophenyl isocyanate

N-{4-[(difluoromethyl)thio]phenyl}-2-(4-pyrrolidin-1-ylphenyl)acetamide

C₁₂H₈F₂OS₂

Refernces

• 1、 Lin, Ya-Mei,Yi, Wen-Bin,Shen, Wan-Zhao,Lu, Guo-Ping. "A Route to α-Fluoroalkyl Sulfides from α-Fluorodiaroylmethanes". supporting information. p. 592 - 595. Retrieved 2016/02/18.
• 2、 -. "3-(p-Alkylsulfonylphenyl)oxazolidinone derivatives as antibacterial agents". . . Retrieved 2008/06/13.