4-Phenylsulfanyl-butan-2-one

Base Information

• Chemical Name: 4-Phenylsulfanyl-butan-2-one
• CAS No.: 6110-01-6
• Molecular Formula: C10H12OS
• Molecular Weight: 180.271
• NSC Number: 45650
• DSSTox Substance ID: DTXSID10286414
• Nikkaji Number: J651.725K
• Wikidata: Q82022128
• Mol file: 6110-01-6.mol

Synonyms:4-(phenylsulfanyl)butan-2-one;4-PSB-2 compound

Chemical Property of 4-Phenylsulfanyl-butan-2-one

Chemical Property:

• Vapor Pressure: 0.00227mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 289 °C at 760 mmHg
• Flash Point: 140.5 °C
• Density: 1.07 g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.06088618
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCSC1=CC=CC=C1

Technology Process of 4-Phenylsulfanyl-butan-2-one

There total 11 articles about 4-Phenylsulfanyl-butan-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: 100.0%

methyl vinyl ketone (78-94-4,25038-87-3) + thiophenol (108-98-5) → 4-phenylsulfanyl-butan-2-one (6110-01-6)

Guidance literature:

In acetonitrile; electrolysis (0.01-0.1 N Et₄NBr or Bu₄NBr, Pt cathode, Mg anode);

DOI:10.1007/BF00959684

Reference yield: 98.0%

methyl vinyl ketone (78-94-4,25038-87-3) + diphenyldisulfane (882-33-7) → 4-phenylsulfanyl-butan-2-one (6110-01-6)

Guidance literature:

diphenyldisulfane; With bis(cyclopentadienyl)titanium dichloride; zinc; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

methyl vinyl ketone; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.3184/030823409X12592534682310

Reference yield: 87.0%

methyl vinyl ketone (78-94-4,25038-87-3) → 4-phenylsulfanyl-butan-2-one (6110-01-6)

Guidance literature:

With triethylamine;

upstream raw materials:

methyl vinyl ketone

thiophenol

4-chloro-2-butanone

Dibutylthioborsaeure-phenylester

Downstream raw materials:

4-ethoxy-butan-2-one

5-Benzenesulfinyl-3-hydroxy-2,3-dimethyl-pentanoic acid methyl-phenyl-amide

5-Benzenesulfinyl-2-ethyl-3-hydroxy-3-methyl-pentanoic acid methyl-phenyl-amide

(4S,5S)-2-Methyl-2-(2-phenylsulfanyl-ethyl)-[1,3]dioxolane-4,5-dicarboxylic acid diethyl ester