(4-Fluorophenylthio)propan-2-one

Base Information

• Chemical Name: (4-Fluorophenylthio)propan-2-one
• CAS No.: 2968-13-0
• Molecular Formula: C9H9 F O S
• Molecular Weight: 184.234
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60372098
• Nikkaji Number: J3.058.324H
• Wikidata: Q82159686
• Mol file: 2968-13-0.mol

Synonyms:2968-13-0;(4-Fluorophenylthio)propan-2-one;(4-Fluorophenylthio)acetone;1-(4-fluorophenyl)sulfanylpropan-2-one;1-((4-Fluorophenyl)thio)propan-2-one;1-(4-fluorophenylthio)propan-2-one;1-[(4-fluorophenyl)sulfanyl]propan-2-one;SCHEMBL3430422;1-[(4-fluorophenyl)thio]acetone;DTXSID60372098;MFCD00179340;AKOS008902205;1-[(4-fluorophenyl)thio]-2-propanone;AS-40101;2-Propanone, 1-[(4-fluorophenyl)thio]-;CS-0272163;FT-0604775;EN300-394830;A820004

Chemical Property of (4-Fluorophenylthio)propan-2-one

Chemical Property:

• Boiling Point: 100-103°C 1mm
• Flash Point: 100-103°C/1mm
• PSA: 42.37000
• LogP: 2.50680
• Sensitive.: Stench
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 184.03581424
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

(4-Fluorophenylthio)propan-2-one 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CSC1=CC=C(C=C1)F

Technology Process of (4-Fluorophenylthio)propan-2-one

There total 8 articles about (4-Fluorophenylthio)propan-2-one 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: 94.0%

4-Fluorothiophenol (371-42-6) + chloroacetone (78-95-5) → 1-(4-fluoro-phenylsulfanyl)propan-2-one (2968-13-0)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1016/j.bmcl.2003.08.040

Reference yield: 82.0%

bis(4-fluorophenyl)disulfide (405-31-2) + acetone (67-64-1) → 1-(4-fluoro-phenylsulfanyl)propan-2-one (2968-13-0)

Guidance literature:

With tert.-butylhydroperoxide; di-tert-butyl peroxide; at 120 ℃; for 24h;

DOI:10.1016/j.tetlet.2015.05.059

Reference yield: 67.8%

→ 1-(4-fluoro-phenylsulfanyl)propan-2-one (2968-13-0)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 0.5h;

In acetone; for 2h; Reflux;

upstream raw materials:

4-Fluorothiophenol

chloroacetone

sodium 4-fluorophenylthiolate

Isopropenyl acetate

Downstream raw materials:

2-amino-3-(4-fluoro-phenylsulfanyl)-2-methyl-propionitrile

6,7-difluoro-2-(4-fluoro-phenylsulfanyl)-3-methyl-quinoxaline 1,4-dioxide

2-acetyl-5-fluoro-3-methylbenzo[b]thiophene

1-(5-fluoro-3-methylbenzo[b]thiophen-2-yl)-3-(1-triphenylmethyl-1H-imidazol-4-yl)propan-1-ol