Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate

Base Information

• Chemical Name: Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
• CAS No.: 166392-24-1
• Molecular Formula: C8H10N2O2S
• Molecular Weight: 198.24200
• Hs Code.: 2933599590
• DSSTox Substance ID: DTXSID70391639
• Wikidata: Q82189240
• ChEMBL ID: CHEMBL1381133
• Mol file: 166392-24-1.mol

Synonyms:166392-24-1;Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate;methyl 4-methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylate;methyl 4-methyl-2-methylsulfanylpyrimidine-5-carboxylate;methyl 4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxylate;MLS000327644;methylmethylmethylsulfanylpyrimidinecarboxylate;SCHEMBL2221978;CHEMBL1381133;DTXSID70391639;HMS2406M24;MFCD04125151;AKOS005070272;SB55613;SMR000180610;CS-0078739;FT-0680303;D73967;3R-1007;A882329;J-522372;Methyl4-methyl-2-(methylthio)pyrimidine-5-carboxylate

Chemical Property of Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate

Chemical Property:

• Melting Point: 59-61°C
• PSA: 77.38000
• LogP: 1.29350
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 198.04629874
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NC=C1C(=O)OC)SC

Technology Process of Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate

There total 3 articles about Methyl 4-methyl-2-(methylthio)pyrimidine-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: 35.0%

4-Cyclohex-3-enyl-6-methyl-2-methylsulfanyl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester → methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate (166392-24-1) + 4-Cyclohex-3-enyl-6-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid methyl ester

Guidance literature:

With manganese(IV) oxide; In chloroform; for 0.5h; Heating;

Reference yield: 34.0%

C16H26N3O3S → methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate (166392-24-1) + C16H24N3O3S

Guidance literature:

With manganese(IV) oxide; In chloroform; for 0.5h; Heating;

Reference yield:

acetoacetic acid methyl ester (105-45-3) → methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate (166392-24-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / NaHCO₃ / dimethylformamide / 3 h / 70 °C

2: 32 percent / MnO₂ / CHCl₃ / 0.5 h / Heating

With manganese(IV) oxide; sodium hydrogencarbonate; In chloroform; N,N-dimethyl-formamide;

upstream raw materials:

acetoacetic acid methyl ester

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