1-(2-(Methylthio)phenyl)ethanone

Base Information

• Chemical Name: 1-(2-(Methylthio)phenyl)ethanone
• CAS No.: 1441-97-0
• Molecular Formula: C9H10OS
• Molecular Weight: 166.244
• European Community (EC) Number: 829-174-3
• DSSTox Substance ID: DTXSID90447167
• Nikkaji Number: J1.978.239E
• Wikidata: Q72491331
• Mol file: 1441-97-0.mol

Synonyms:1441-97-0;1-(2-(methylthio)phenyl)ethanone;o-(Methylthio)acetophenone;2'-(methylthio)acetophenone;1-(2-methylsulfanylphenyl)ethanone;1-(2-(methylthio)phenyl)ethan-1-one;1-[2-(Methylsulfanyl)phenyl]ethan-1-one;1-[2-(methylthio)phenyl]Ethanone;SCHEMBL2199723;DTXSID90447167;BAA44197;AKOS010252448;s10954;FT-0741514;EN300-57025;4-Bromo-N,N-bis[4-(2-ethylhexyloxy)phenyl]-aniline;Z732207820

Chemical Property of 1-(2-(Methylthio)phenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0152mmHg at 25°C
• Melting Point: 44-45℃
• Boiling Point: 256.7oC at 760 mmHg
• Flash Point: 118.4oC
• PSA: 42.37000
• Density: 1.1g/cm3
• LogP: 2.61110
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

98%min ^*data from raw suppliers

1-[2-(methylsulfanyl)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1SC

Technology Process of 1-(2-(Methylthio)phenyl)ethanone

There total 22 articles about 1-(2-(Methylthio)phenyl)ethanone 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%

2-bromophenyl methyl ketone (2142-69-0) + sodium thiomethoxide (5188-07-8) → 2'-(methylthio)acetophenone (1441-97-0)

Guidance literature:

In tetrahydrofuran; at 75 ℃; for 10h;

DOI:10.1021/ol035663a

Reference yield: 75.0%

1-(2-chlorophenyl)ethanone (2142-68-9) + carbonic acid dimethyl ester (616-38-6) → 2'-(methylthio)acetophenone (1441-97-0)

Guidance literature:

With potassium tert-butylate; palladium diacetate; triphenylphosphine; potassium thioacetate; In dimethyl sulfoxide; at 120 ℃; Inert atmosphere;

Reference yield: 73.0%

acetic acid methyl ester (79-20-9) + 2-bromo-1-(methylsulfanyl)benzene (19614-16-5) → 2'-(methylthio)acetophenone (1441-97-0)

Guidance literature:

2-bromo-1-(methylsulfanyl)benzene; With n-butyllithium; In diethyl ether; hexane; at -25 ℃; for 0.5h;

acetic acid methyl ester; In diethyl ether; hexane; at -80 - 20 ℃;

DOI:10.1016/S0040-4020(02)00399-X

upstream raw materials:

sodium ethyl acetylacetate enolate

2-methylsulfanyl-benzoyl chloride

1-(2-mercaptophenyl)ethan-1-one

methyl iodide

Downstream raw materials:

2-(2-methylthiophenyl)propan-2-ol

2-(2-methylthiophenyl)hept-3-yn-2-ol

(Z)-1-(2-(2-(methylthio)-2-(thiophen-2-yl)vinyl)phenyl)ethanone

(Z)-1-(2-(2-(4-bromophenyl)-2-(methylthio)vinyl)phenyl)ethanone

Refernces

• 1、 McClelland,D'Silva. "-". . p. 227,229. Retrieved 1932.
• 2、 Wang, Ming,Qiao, Zongjun,Zhao, Jiaoyan,Jiang, Xuefeng. "Palladium-Catalyzed Thiomethylation via a Three-Component Cross-Coupling Strategy". supporting information. p. 6193 - 6197. Retrieved 2018/09/25.
• 3、 -. "PYRAZOLONE DERIVATIVES AS NITROXYL DONORS". Page/Page column 185; 215. . Retrieved 2016/01/29.