4-Fluorothioanisole

Base Information

• Chemical Name: 4-Fluorothioanisole
• CAS No.: 371-15-3
• Molecular Formula: C7H7FS
• Molecular Weight: 142.197
• Hs Code.: 29309090
• European Community (EC) Number: 206-733-4
• DSSTox Substance ID: DTXSID40190590
• Nikkaji Number: J213.562K
• Wikidata: Q72477138
• ChEMBL ID: CHEMBL2323853
• Mol file: 371-15-3.mol

Synonyms:1-Fluoro-4-(methylthio)benzene;1-fluoro-4-methylsulfanyl-benzene;

Chemical Property of 4-Fluorothioanisole

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.987mmHg at 25°C
• Refractive Index: 1.55-1.552
• Boiling Point: 184.784 °C at 760 mmHg
• Flash Point: 65.555 °C
• PSA: 25.30000
• Density: 1.136 g/cm³
• LogP: 2.54760
• Sensitive.: Stench
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.02524956
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

97% ^*data from raw suppliers

4-Fluorothioanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)F

Technology Process of 4-Fluorothioanisole

There total 25 articles about 4-Fluorothioanisole 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: 98.0%

4-Fluorothiophenol (371-42-6) + methyl iodide (74-88-4) → p-fluorothioanisole (371-15-3)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 2.5h;

DOI:10.1039/c5ob00549c

Reference yield: 86.0%

4-Fluorothiophenol (371-42-6) + dimethyl sulfate (77-78-1) → p-fluorothioanisole (371-15-3)

Guidance literature:

With sodium hydroxide; In water; 1) 45 min at 50-60 deg C b) 4 h at 100 deg C;

Reference yield: 83.0%

(4-bromophenyl)thioanisole (104-95-0) → methyl-phenyl-thioether (100-68-5) + p-fluorothioanisole (371-15-3)

Guidance literature:

(4-bromophenyl)thioanisole; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; Flow reactor;

With 2-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole-1,1-dioxide; In tetrahydrofuran; hexane; at 0 ℃; Reagent/catalyst; Flow reactor;

DOI:10.1002/asia.201201191

upstream raw materials:

4-Fluorothiophenol

4-methylsulfanylaniline

(4-fluorophenylthio)acetic acid

dimethyl sulfate

Downstream raw materials:

1-(methylsufonyl)-4-fluorobenzene

(4-fluoro-phenyl)-trichloromethyl sulfide

1-Benzyl-4-(4-(methylthio)phenoxy)piperidine

2-fluoro-5-(methylthio)benzoic acid