Methyl thiophene-2-carbodithioate

Base Information

• Chemical Name: Methyl thiophene-2-carbodithioate
• CAS No.: 2168-83-4
• Molecular Formula: C6H6S3
• Molecular Weight: 174.312
• DSSTox Substance ID: DTXSID10499608
• Nikkaji Number: J315.971J
• Wikidata: Q82350549
• Mol file: 2168-83-4.mol

Synonyms:methyl thiophene-2-carbodithioate;2168-83-4;SCHEMBL9489939;Methyl-2-thiophenecarbodithioate;DTXSID10499608;QTFGJYVLAVUFIX-UHFFFAOYSA-N

Chemical Property of Methyl thiophene-2-carbodithioate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.96316371
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)C1=CC=CS1

Technology Process of Methyl thiophene-2-carbodithioate

There total 1 articles about Methyl thiophene-2-carbodithioate 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:

2-(2-thienyl)-4,5-dimethoxycarbonyl-1,3-dithiole (116935-20-7) + methyl iodide (74-88-4) → thiophene-2-carbodithioic acid methyl ester (2168-83-4) + dimethyl acetylenedicarboxylate (762-42-5)

Guidance literature:

With n-butyllithium; Multistep reaction; 1) 2 h -30 deg C THF hexane, 2) 2 h;

Reference yield: 99.0%

thiophene-2-carbodithioic acid methyl ester (2168-83-4) + 2-bromo-4,5-dimethoxyphenylacetonitrile (51655-39-1) + methyl iodide (74-88-4) → 2-(2-bromo-4,5-dimethoxyphenyl)-3-(methylthio)-3-(thiophen-2-yl)acrylonitrile (1012327-20-6)

Guidance literature:

2-bromo-4,5-dimethoxyphenylacetonitrile; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;

thiophene-2-carbodithioic acid methyl ester; In tetrahydrofuran; mineral oil; at 0 - 20 ℃;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 - 20 ℃;

DOI:10.1021/ol800029c

Reference yield: 92.0%

thiophene-2-carbodithioic acid methyl ester (2168-83-4) → 2-thiophenylcarboxylic acid (527-72-0)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In methanol; water; at 20 ℃; for 0.0833333h;

DOI:10.1055/s-0028-1083190

upstream raw materials:

2-(2-thienyl)-4,5-dimethoxycarbonyl-1,3-dithiole

methyl iodide

Downstream raw materials:

2,6-Bis-(2-Thienyl)-4H-thiopyran-4-on

dimethyl-2,2',5',2''-terthienyl

1-(3-methylpyridinio)(2-thiophenethiocarbonyl)amidate

2-(2-bromo-4,5-dimethoxyphenyl)-3-(methylthio)-3-(thiophen-2-yl)acrylonitrile

Refernces