Ethyl 6-methyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 6-methyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
• CAS No.: 81633-30-9
• Molecular Formula: C₈H₁₀N₂O₂S
• Molecular Weight: 198.246
• DSSTox Substance ID: DTXSID301189731
• Nikkaji Number: J2.186.966J
• Mol file: 81633-30-9.mol

Synonyms:81633-30-9;Ethyl 6-methyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate;Ethyl 2-mercapto-4-methylpyrimidine-5-carboxylate;ethyl 6-methyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate;DTXSID301189731;Ethyl 4-methyl-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate;MFCD03425964;AKOS002675717;ethoxycarbonyl-methyl-mercaptopyrimidine;SB55741;s10347;ethyl 4-methyl-2-thioxo-1h-pyrimidine-5-carboxylate;Ethyl 1,2-dihydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate

Chemical Property of Ethyl 6-methyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.04629874
• Heavy Atom Count: 13
• Complexity: 307

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-mercapto-4-methylpyrimidine-5-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 6-methyl-2-thioxo-1,2-dihydropyrimidine-5-carboxylate

There total 2 articles about Ethyl 6-methyl-2-thioxo-1,2-dihydropyrimidine-5-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: 53.0%

thiourea (17356-08-0) + 2-ethoxymethylene-3-oxobutanoic acid ethyl ester (3788-94-1) → ethyl 4-methyl-2-thioxo-1H-pyrimidine-5-carboxylate (81633-30-9) + 5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (66116-80-1)

Guidance literature:

thiourea; 2-ethoxymethylene-3-oxobutanoic acid ethyl ester; In ethanol; for 8h; Reflux;

With acetic acid; In water;

DOI:10.1007/s10593-010-0634-7

Reference yield:

thiourea (17356-08-0) + 2-ethoxymethylene-3-oxobutanoic acid ethyl ester (3788-94-1) → ethyl 4-methyl-2-thioxo-1H-pyrimidine-5-carboxylate (81633-30-9)

Guidance literature:

at 150 ℃;

DOI:10.1021/ja01184a501

upstream raw materials:

thiourea

2-ethoxymethylene-3-oxobutanoic acid ethyl ester