1-(4-Methoxyphenyl)-2-(methylsulfanyl)ethan-1-one

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-2-(methylsulfanyl)ethan-1-one
• CAS No.: 46188-84-5
• Molecular Formula: C10H12O2S
• Molecular Weight: 196.27
• DSSTox Substance ID: DTXSID20497195
• Nikkaji Number: J1.309.536A
• Wikidata: Q82346615
• Mol file: 46188-84-5.mol

Synonyms:46188-84-5;1-(4-Methoxyphenyl)-2-(methylsulfanyl)ethan-1-one;1-(4-methoxyphenyl)-2-(methylthio)ethanone;SCHEMBL10350130;DTXSID20497195;CS-0289812;EN300-394486;1-(4-Methoxyphenyl)-2-(methylthio)ethan-1-one

Chemical Property of 1-(4-Methoxyphenyl)-2-(methylsulfanyl)ethan-1-one

Chemical Property:

• Melting Point: 132–136°C
• PSA: 51.60000
• LogP: 2.24090
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CSC

Technology Process of 1-(4-Methoxyphenyl)-2-(methylsulfanyl)ethan-1-one

There total 11 articles about 1-(4-Methoxyphenyl)-2-(methylsulfanyl)ethan-1-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: 90.0%

chloro-methylsulfanyl-methane (2373-51-5) + 4,N-dimethoxy-N-methylbenzamide (52898-49-4) → 1‐(4‐methoxyphenyl)‐2‐(methylsulfanyl)ethanone (46188-84-5)

Guidance literature:

With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at -78 ℃; for 3h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201800095

Reference yield: 86.0%

ω-(Methylthio)-ω-(methylsulfinyl)-p-methoxyacetophenone (122033-80-1) → 1‐(4‐methoxyphenyl)‐2‐(methylsulfanyl)ethanone (46188-84-5)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; benzoic acid; In acetonitrile; -1.93 V potential electrolyses;

DOI:10.1246/bcsj.62.2055

Reference yield: 83.0%

(methylthio)acetyl chloride (35928-65-5) + methoxybenzene (100-66-3) → 1‐(4‐methoxyphenyl)‐2‐(methylsulfanyl)ethanone (46188-84-5)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃; for 0.5h;

upstream raw materials:

2-chloro-4-methoxyacetophenone

sodium thiomethoxide

2-Bromo-4'-methoxyacetophenone

(methylthio)acetyl chloride

Downstream raw materials:

trans-1-methoxy-4-(2-methylsulfanylvinyl)benzene

α-methyl-α-(methylthio)-p-methoxyacetophenone

2-Chloro-1-(4-methoxy-phenyl)-2-methylsulfanyl-ethanone

1-(4-methoxy-phenyl)-2-phenylsulfanyl-ethanone

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