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2-Thiomethylpyrimidine-4-carboxylic acid

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2-Thiomethylpyrimidine-4-carboxylic acid Basic information
Product Name:2-Thiomethylpyrimidine-4-carboxylic acid
Synonyms:2-Thiomethylpyrimidine-4-carboxylic acid;2-Methylsulfanyl-pyrimidine-4-carboxylic acid;2-Methylthiopyrimidine-4-carboxylic acid;2-(Methylthio)-4-pyriMidinecarboxylic acid;2-MethylsulfanylpyriMidin-4-carboxylic acid;2-Mthylsulfanyl-pyriMidine-4-carboxylic acid;2-Methyl SulfanylpyriMidene-4-carboxylic acid;2-Thioformylpyrimidine-4-carboxylic acid
CAS:1126-44-9
MF:C6H6N2O2S
MW:170.19
EINECS:
Product Categories:Heterocycle-Pyrimidine series;pharmacetical;Pyrimidine series
Mol File:1126-44-9.mol
2-Thiomethylpyrimidine-4-carboxylic acid Structure
2-Thiomethylpyrimidine-4-carboxylic acid Chemical Properties
Melting point 208-210 °C (decomp)
Boiling point 378.4±15.0 °C(Predicted)
density 1.45±0.1 g/cm3(Predicted)
storage temp. 2-8°C
form Crystalline Powder
pka2.66±0.10(Predicted)
color White to pale yellow
InChIInChI=1S/C6H6N2O2S/c1-11-6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)
InChIKeyIAGNLKODEFUQDV-UHFFFAOYSA-N
SMILESC1(SC)=NC=CC(C(O)=O)=N1
Safety Information
Hazard Codes Xi
Risk Statements 36
Safety Statements 26
HS Code 29335995
MSDS Information
2-Thiomethylpyrimidine-4-carboxylic acid Usage And Synthesis
Uses2-Thiomethylpyrimidine-4-carboxylic Acid was a useful reagent in development of orally bioavailable bicyclic pyrazolones as inhibitors of tumor necrosis factor.
Synthesis2-Thiomethylpyrimidine-4-carboxylic acid can be prepared by first reacting mucobromic acid and 2-methyl-isothiourea to obtain 5-bromo-2-methylthio-pyrimidine-4-carboxylic acid, and then 2-methylthio-4-pyrimidinecarboxylic acid can be obtained by debromination.
2-Thiomethylpyrimidine-4-carboxylic acid Preparation Products And Raw materials
Raw materials2-Methylsulfanyl-pyrimidine-4-carbaldehyde-->5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
Preparation Products2-Methanesulfonyl-pyrimidine-4-carboxylic acid ethyl ester
Tag:2-Thiomethylpyrimidine-4-carboxylic acid(1126-44-9) Related Product Information
Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate, 97 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid 4-Pyrimidinecarboxylic acid 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester AKOS BBS-00001671 2-Thiomethylpyrimidine-4-carboxylic acid potassium salt Methyl 6-methyl-2-(methylthio)pyrimidine-4-carboxylate Ethyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate Iflab-bb F2124-0044 6-Hydroxy-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid 5,6-Dihydroxy-2-methylsulfanyl-pyrimidine-4-carboxylic acid 5,6-Dihydroxy-2-methanesulfonyl-pyrimidine-4-carboxylic acid 5,6-Dimethoxy-2-methylsulfanyl-pyrimidine-4-carboxylic acid methyl ester 2-(benzylthio)-5-chloropyrimidine-4-carboxylic acid AKOS BBS-00001669 AKOS BBS-00000062 AKOS BBS-00001997