Methyl phenacyl sulfoxide

Base Information

• Chemical Name: Methyl phenacyl sulfoxide
• CAS No.: 2813-22-1
• Molecular Formula: C9H10 O2 S
• Molecular Weight: 182.243
• DSSTox Substance ID: DTXSID80950872
• Nikkaji Number: J246.349K
• Mol file: 2813-22-1.mol

Synonyms:Methyl phenacyl sulfoxide;2813-22-1;2-methylsulfinyl-1-phenylethanone;Ethanone, 2-(methylsulfinyl)-1-phenyl-;2-(methylsulfinyl)-1-phenylethanone;SCHEMBL8398448;DTXSID80950872;alpha-(Methylsulfinyl)acetophenone;2-methanesulfinyl-1-phenylethanone;AKOS013967423;2-(Methanesulfinyl)-1-phenylethan-1-one;FT-0701915

Chemical Property of Methyl phenacyl sulfoxide

Chemical Property:

• Vapor Pressure: 2.72E-06mmHg at 25°C
• Boiling Point: 390.1°Cat760mmHg
• Flash Point: 189.7°C
• PSA: 53.35000
• Density: 1.239g/cm³
• LogP: 2.11350
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.04015073
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

95+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl phenacyl sulfoxide

There total 10 articles about Methyl phenacyl sulfoxide 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: 96.0%

→ 2-methanesulfinyl-1-phenyl-ethanone (2813-22-1)

Guidance literature:

With sodium hydroxide; In water; at 18 ℃; for 0.333333h;

Reference yield: 70.0%

benzoic acid ethyl ester (93-89-0,99341-95-4) + dimethyl sulfoxide (67-68-5,8070-53-9) → 2-methanesulfinyl-1-phenyl-ethanone (2813-22-1)

Guidance literature:

With potassium tert-butylate; at 70 ℃; for 1h;

DOI:10.1021/ja00244a032

Reference yield: 57.0%

benzoyl chloride (98-88-4) + dimethyl sulfoxide (67-68-5,8070-53-9) → 2-methanesulfinyl-1-phenyl-ethanone (2813-22-1)

Guidance literature:

With calcium carbide; triethylamine; at 20 ℃; for 0.666667h; Inert atmosphere; Cooling with ice;

upstream raw materials:

1-benzoylimidazole

dimethyl sulfoxide

benzoyl chloride

benzoic acid ethyl ester

Downstream raw materials:

4-methanesulfinyl-3-phenyl-5-p-tolyl-isoxazole

2-(Methylthio)-2-(p-toluolsulfonamido)acetophenon

N-(1-Methylsulfanyl-2-oxo-2-phenyl-ethyl)-benzamide

ω-Methyl-ω-(methylsulfinyl)acetophenon

Refernces

• 1、 Heredia, Adrián A.,López-Vidal, Martín G.,Kurina-Sanz, Marcela,Bisogno, Fabricio R.,Pe?é?ory, Alicia B.. "Thiol-free chemoenzymatic synthesis of β-ketosulfides". supporting information. p. 378 - 387. Retrieved 2019/02/20.
• 2、 Guo, Lei,Yan, Bing,Liu, Jin-Liang. "Photofunctional Eu3+/Tb3+ hybrids through sulfoxide linkages: Coordination bonds construction, characterization and luminescence". experimental part. p. 4933 - 4940. Retrieved 2011/06/27.