2-(4-Methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate
• CAS No.: 54480-42-1
• Molecular Formula: C₁₂H₁₅NO₂S₂
• Molecular Weight: 269.389
• DSSTox Substance ID: DTXSID40516938
• Wikidata: Q82378613

Synonyms:54480-42-1;2-(4-Methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate;DTXSID40516938

Chemical Property of 2-(4-Methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 269.05442107
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)SCC(=O)C1=CC=C(C=C1)OC

Technology Process of 2-(4-Methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate

There total 1 articles about 2-(4-Methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate 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:

4-Methoxystyrene (637-69-4,24936-44-5) + N,N-dimethyldithiocarbamic acid (79-45-8) → 2-(4-methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate (54480-42-1)

Guidance literature:

With tert.-butylhydroperoxide; rhodamine B; In water; N,N-dimethyl-formamide; at 20 ℃; for 36h; Irradiation;

DOI:10.1021/acs.orglett.1c01059

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 2-(4-methoxyphenyl)-2-oxoethyl dimethylcarbamodithioate (54480-42-1) + methyl iodide (74-88-4) → 4-(4-Methoxybenzoyl)-5-methylthio-1,3-dithiol-2-thion (88559-25-5)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 2 h, room temp., 2.) 1 h;

upstream raw materials:

4-Methoxystyrene

N,N-dimethyldithiocarbamic acid

Downstream raw materials:

4-(4-Methoxybenzoyl)-5-methylthio-1,3-dithiol-2-thion

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