2-Propen-1-one, 1-(4-methoxyphenyl)-2-methyl-3,3-bis(methylthio)-

Base Information

• Chemical Name: 2-Propen-1-one, 1-(4-methoxyphenyl)-2-methyl-3,3-bis(methylthio)-
• CAS No.: 61541-61-5
• Molecular Formula: C13H16O2S2
• Molecular Weight: 268.401
• DSSTox Substance ID: DTXSID70485800

Synonyms:61541-61-5;2-Propen-1-one, 1-(4-methoxyphenyl)-2-methyl-3,3-bis(methylthio)-;DTXSID70485800

Chemical Property of 2-Propen-1-one, 1-(4-methoxyphenyl)-2-methyl-3,3-bis(methylthio)-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 268.05917210
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(SC)SC)C(=O)C1=CC=C(C=C1)OC

Technology Process of 2-Propen-1-one, 1-(4-methoxyphenyl)-2-methyl-3,3-bis(methylthio)-

There total 2 articles about 2-Propen-1-one, 1-(4-methoxyphenyl)-2-methyl-3,3-bis(methylthio)- 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: 60.0%

→ 1-(4-Methoxy-phenyl)-2-methyl-3,3-bis-methylsulfanyl-propenone (61541-61-5)

Guidance literature:

With iron(III) chloride; In N,N-dimethyl-formamide; at 120 ℃; for 20h; Schlenk technique; Inert atmosphere;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 4-Methoxypropiophenone (121-97-1) + methyl iodide (74-88-4) → 1-(4-Methoxy-phenyl)-2-methyl-3,3-bis-methylsulfanyl-propenone (61541-61-5)

Guidance literature:

Multistep reaction; (i) NaOtBu, benzene, (ii) /BRN= 969135/;

DOI:10.1016/0040-4020(76)85196-4

Reference yield: 45.0%

1-(4-Methoxy-phenyl)-2-methyl-3,3-bis-methylsulfanyl-propenone (61541-61-5) → 1-(p-methoxyphenyl)-3-methylthio-2-methylthiomethylprop-2-en-1-one (82238-81-1)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 50 - 60 ℃; for 4h;

DOI:10.1016/S0040-4039(00)86997-X

upstream raw materials:

carbon disulfide

4-Methoxypropiophenone

methyl iodide

Downstream raw materials:

3-methylthio-2-methylthiomethyl-1-phenylprop-2-en-1-one

2-ethylthiomethyl-3-methylthio-1-phenylprop-2-en-1-one

3-ethylthio-2-methylthiomethyl-1-phenylprop-2-en-1-one

2-ethylthiomethyl-3-methylthio-1-(p-methoxyphenyl)prop-2-en-1-one

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