4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 7234-25-5
• Molecular Formula: C18H22N2O
• Molecular Weight: 212.27
• Hs Code.: 29339900
• Mol file: 7234-25-5.mol

Synonyms:Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate;5-Pyrimidinecarboxylic acid,4-methyl-2-(methylthio)-,ethyl ester;1-benzyl-6,8-dimethyl-7-oxo-1-azaspiro[4.4]nonane-9-carbonitrile;S-7HNa;ethyl 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylate;S-7;Ethyl 2-methylthio-4-5-pyrimidinecarboxylate;Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate;S 7 (virucide);Emtmpc;

Chemical Property of 4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 3.89E-08mmHg at 25°C
• Melting Point: 59-60 °C
• Refractive Index: 1.574
• Boiling Point: 445.6 °C at 760 mmHg
• PKA: -0.28±0.29(Predicted)
• Flash Point: 223.3 °C
• PSA: 77.38000
• Density: 1.13 g/cm³
• LogP: 1.68360
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-methyl-2-(methylthio)pyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 20/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER

There total 13 articles about 4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER 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: 88.0%

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + 2-ethoxymethylene-3-oxobutanoic acid ethyl ester (3788-94-1) → 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester (7234-25-5)

Guidance literature:

With sodium acetate; In DMF (N,N-dimethyl-formamide); at 80 ℃; for 4h;

Reference yield: 86.0%

S-methylisothiourea hemisulphate (147895-43-0) + 2-ethoxymethylene-3-oxobutanoic acid ethyl ester (3788-94-1) → 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester (7234-25-5)

Guidance literature:

With sodium acetate; In N,N-dimethyl-formamide; at 80 ℃; for 3.5h;

Reference yield: 81.0%

carbamimidothioic acid methyl ester (2986-19-8) + 2-ethoxymethylene-3-oxobutanoic acid ethyl ester (3788-94-1) → 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester (7234-25-5)

Guidance literature:

With triethylamine; In ethanol; for 48h; Reflux;

upstream raw materials:

2-methylisothiourea sulphate

α-acetyl-α-(dimethylaminomethylene)acetic acid,ethyl ester

2-ethoxymethylene-3-oxobutanoic acid ethyl ester

carbamimidothioic acid methyl ester

Downstream raw materials:

2-benzylamino-4-methylpyrimidine-5-carboxylic acid ethyl ester

4-methyl-2-(methylthio)pyrimidine-5-carboxylic acid

2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester

2-hydrazino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester

Refernces

• 1、 Mastracchio, Anthony,Lai, Chunqiu,Torrent, Maricel,Bromberg, Kenneth,Buchanan, Fritz G.,Ferguson, Debra,Bontcheva, Velitchka,Johnson, Eric F.,Lasko, Loren,Maag, David,Soni, Nirupama,Shoemaker, Alexander R.,Penning, Thomas D.. "Investigation of biaryl heterocycles as inhibitors of Wee1 kinase". supporting information. p. 1481 - 1486. Retrieved 2019/04/25.
• 2、 -. "BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS". . . Retrieved 2011/08/03.