4-[(4-Fluorophenyl)sulfanyl]aniline

Base Information

• Chemical Name: 4-[(4-Fluorophenyl)sulfanyl]aniline
• CAS No.: 24900-69-4
• Molecular Formula: C12H10 F N S
• Molecular Weight: 219.283
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90379191
• Nikkaji Number: J2.939.061D
• Wikidata: Q82168892
• Mol file: 24900-69-4.mol

Synonyms:4-[(4-Fluorophenyl)sulfanyl]aniline;24900-69-4;4-(4-fluorophenyl)sulfanylaniline;4-((4-Fluorophenyl)thio)aniline;4-(4-Fluorophenylthio)aniline;SCHEMBL6068324;DTXSID90379191;LNYUNEQJZJOMBA-UHFFFAOYSA-N;4-(4-Fluorophenylthio)aniline 97%;MFCD00172068;AKOS000215302;4-[(4-fluorophenyl)thio]-benzeneamine;7G-448S;SB79466;CS-0333473;FT-0638467;J-513166

Chemical Property of 4-[(4-Fluorophenyl)sulfanyl]aniline

Chemical Property:

• Vapor Pressure: 2.56E-06mmHg at 25°C
• Melting Point: 60-62°C
• Boiling Point: 390.9°Cat760mmHg
• Flash Point: 190.2°C
• PSA: 51.32000
• Density: 1.27g/cm³
• LogP: 4.14030
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.05179866
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)SC2=CC=C(C=C2)F

Technology Process of 4-[(4-Fluorophenyl)sulfanyl]aniline

There total 7 articles about 4-[(4-Fluorophenyl)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: 91.0%

4-fluorobenzenesulfonylhydrazide (2266-41-3) + aniline (62-53-3) → 4-(4-fluorophenyl)sulfanylaniline (24900-69-4)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; propylene glycol dimethyl ether dimer; at 100 ℃; for 12h; Schlenk technique;

DOI:10.1016/j.tet.2020.131646

Reference yield: 88.0%

4-Fluorothiophenol (371-42-6) + aniline (62-53-3) → 4-(4-fluorophenyl)sulfanylaniline (24900-69-4)

Guidance literature:

With 5-ethyl-1,3,7,8-tetramethylalloxazinium triflate; iodine; oxygen; In acetonitrile; at 60 ℃; for 24h; Schlenk technique; Green chemistry;

DOI:10.1016/j.tetlet.2020.152141

Reference yield: 76.0%

bis(4-fluorophenyl)disulfide (405-31-2) + aniline (62-53-3) → 4-(4-fluorophenyl)sulfanylaniline (24900-69-4)

Guidance literature:

With iron(III) trifluoride; iodine; In acetonitrile; at 80 ℃; for 36h; regioselective reaction; Inert atmosphere;

DOI:10.1055/s-0030-1258449

upstream raw materials:

4-fluorophenyl 4′-nitrophenyl sulfide

4-Fluorothiophenol

4-chlorobenzonitrile

bis(4-fluorophenyl)disulfide

Downstream raw materials:

[1'-[(E)-cinnamyl]-5-(4-fluorophenyl)sulfanylspiro[indoline-3,4'-piperidine]-1-yl]-(2-methyl-4-pyridyl)methanone

(2-chloro-6-methyl-4-pyridyl)-[1'-[(E)-cinnamyl]-5-(4-fluorophenyl)sulfanylspiro[indoline-3,4'-piperidine]-1-yl]methanone

(2-chloro-4-pyridyl)-[1'-[(E)-cinnamyl]-5-(4-fluorophenyl)sulfanylspiro[indoline-3,4'-piperidine]-1-yl]methanone

benzyl 5-(4-fluorophenyl)sulfanyl-1-(2-methylpyridine-4-carbonyl)spiro[indoline-3,4'-piperidine]-1'-carboxylate