Ethyl 4,5-dimethyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 4,5-dimethyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate
• CAS No.: 59898-39-4
• Molecular Formula: C11H16N2O2S2
• Molecular Weight: 272.3869
• NSC Number: 280489
• DSSTox Substance ID: DTXSID20975307

Synonyms:DTXSID20975307;59898-39-4;NSC280489;BAS 00435780;AKOS000637157;NSC-280489;SR-01000312359;SR-01000312359-1;N-[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]-N'-methylcarbamimidothioic acid

Chemical Property of Ethyl 4,5-dimethyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Boiling Point: 370.5°C at 760 mmHg
• Flash Point: 177.9°C
• Density: 1.263g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 272.06532010
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC

Technology Process of Ethyl 4,5-dimethyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate

There total 4 articles about Ethyl 4,5-dimethyl-2-(methylcarbamothioylamino)thiophene-3-carboxylate 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: 84.0%

methyl thioisocyanate (556-61-6) + 2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester (4815-24-1) → 4,5-dimethyl-2-(3-methyl-thioureido)-thiophene-3-carboxylic acid ethyl ester (59898-39-4)

Guidance literature:

In acetic acid; Heating;

Reference yield: 73.0%

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate (85716-85-4) + methylamine (74-89-5) → 4,5-dimethyl-2-(3-methyl-thioureido)-thiophene-3-carboxylic acid ethyl ester (59898-39-4)

Guidance literature:

Reference yield:

2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester (4815-24-1) → 4,5-dimethyl-2-(3-methyl-thioureido)-thiophene-3-carboxylic acid ethyl ester (59898-39-4)

Guidance literature:

upstream raw materials:

methyl thioisocyanate

2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate

methylamine

Downstream raw materials:

3,5,6-Trimethyl-2-thioxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

(3,5,6-trimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid

3,5,6-trimethyl-2-thioxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

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