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ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE

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Products Intro: Product Name:Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate
CAS:776-53-4
Purity:98%(Min,HPLC) Package:100g;1kg;5kg,10kg,25kg,50kg
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Products Intro: CAS:776-53-4
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Products Intro: Product Name:ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate
CAS:776-53-4
Purity:98% Package:10MG;50MG;100MG,1G,5G,10G.100G
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Products Intro: Product Name:4-AMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
CAS:776-53-4
Purity:98% Package:1kg;1USD
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Products Intro: Product Name:Ethyl 4-Amino-2-(methylthio)pyrimidine-5-carboxylate
CAS:776-53-4
Purity:>=95% Package:0.25g;1g;5g;10g;25g;100g

ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE manufacturers
ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE Basic information
Product Name:ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
Synonyms:4-AMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;ETHYL-4-AMINO-2-METHYL MERCAPTO-PYRIMIDINE-4-CARBOXYLATE;ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE;4-AMINO-2-METHYLTHIO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;4-Amino-2-(methylsulphanyl)pyrimidine-5-carboxylic acid ethyl ester;ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate;Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate ,97%;Ethyl 4-amino-2-(methylthio)pyrimidin-5-carboxylate
CAS:776-53-4
MF:C8H11N3O2S
MW:213.26
EINECS:
Product Categories:Pyrimidine series;Amines;Aromatics;Heterocycles;Sulfur & Selenium Compounds
Mol File:776-53-4.mol
ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE Structure
ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE Chemical Properties
Melting point 127-128 °C
Boiling point 370.3±22.0 °C(Predicted)
density 1.31±0.1 g/cm3(Predicted)
storage temp. Keep in dark place,Inert atmosphere,Room temperature
pka2.46±0.10(Predicted)
form solid
AppearanceWhite to off-white Solid
InChIInChI=1S/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyQINRQIZOBCQKAZ-UHFFFAOYSA-N
SMILESC1(SC)=NC=C(C(OCC)=O)C(N)=N1
Safety Information
Hazard Codes Xi
Risk Statements 43
Safety Statements 36/37-24/25
WGK Germany WGK 3
HS Code 29335990
Storage Class11 - Combustible Solids
Hazard ClassificationsSkin Sens. 1
MSDS Information
ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE Usage And Synthesis
Chemical PropertiesWhite solid
UsesEthyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate is used for preparation of pyrimidopyrimidines as protein kinase inhibitors.
Synthesis
Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate

5909-24-0

ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE

776-53-4

Step 1. Ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate (100 g, 0.43 mol), tetrahydrofuran (THF, 500 mL) and triethylamine (TEA, 186 mL, 1.29 mol) were added sequentially to a 2L three-neck flask. 28% aqueous ammonium hydroxide solution (400mL) was added in batches under stirring and the reaction temperature was controlled to be below 30°C. After 2 hrs of reaction, water (1000 mL) was added and THF was removed by vacuum distillation.The reaction mixture was filtered and the solid product was collected and dried under vacuum at 50 °C to afford ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate as a white solid (90 g, 99% yield). The product was analyzed by LC/MS showing m/z = 213.9 [M+H]+; 1H-NMR (DMSO-d6, 400MHz) δ 8.57 (s, 1H), 8.03 (br, 1H), 7.65 (br, 1H), 4.27 (q, J = 7.5Hz, 2H), 2.46 (s, 3H), 1.29 (t, J = 7.2Hz , 3H).

References[1] Patent: US2015/31674, 2015, A1. Location in patent: Paragraph 0319
[2] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 12, p. 1241 - 1246
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 11, p. 5520 - 5541
[4] Patent: WO2014/182829, 2014, A1. Location in patent: Page/Page column 42
[5] Patent: WO2015/120049, 2015, A1. Location in patent: Page/Page column 126; 127
ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE Preparation Products And Raw materials
Tag:ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE(776-53-4) Related Product Information
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