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| | Ethyl 4-hydroxypyrimidine-5-carboxylate Basic information |
| Product Name: | Ethyl 4-hydroxypyrimidine-5-carboxylate | | Synonyms: | 6-Hydroxypyrimidine-5-carboxylic acid ethyl ester;4-hydroxy-5-pyrimidinecarboxylicaciethylester;ETHYL 4-HYDROXYPYRIMIDINE-5-CARBOXYLATE;6-OXO-1,6-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;4-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester;Ethyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate LR;Ethyl 1,4-dihydro-4-oxo-5-pyrimidinecarboxylate | | CAS: | 4786-52-1 | | MF: | C7H8N2O3 | | MW: | 168.15 | | EINECS: | | | Product Categories: | pharmacetical;Heterocycle-Pyrimidine series;CMLLYL | | Mol File: | 4786-52-1.mol |  |
| | Ethyl 4-hydroxypyrimidine-5-carboxylate Chemical Properties |
| Melting point | 185-186 °C | | density | 1.33±0.1 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | pka | 7.70±0.40(Predicted) | | Appearance | Light yellow to yellow Solid | | InChI | InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-8-4-9-6(5)10/h3-4H,2H2,1H3,(H,8,9,10) | | InChIKey | PLMIZYMXBHSARX-UHFFFAOYSA-N | | SMILES | C1NC(=O)C(C(OCC)=O)=CN=1 |
| HazardClass | IRRITANT | | HS Code | 2933599590 |
| | Ethyl 4-hydroxypyrimidine-5-carboxylate Usage And Synthesis |
| Uses | 7-Chloroisoquinolin-1(2H)-one acts as a reagent for the preparation, SAR of methoxyisoquinoline derivative and discovery of asunaprevir (BMS-650032), an orally efficacious NS3 protease inhibitor for the treatment of hepatitis C virus infection. Synthesis and pharmacological evaluation of a series of 1,2-dihydro-1-[(5-methyl-1-imidazol-4-yl)methyl]-2-oxopyridine 5-HT3 antagonists. | | Synthesis | Ethyl 4-hydroxy-5-pyrimidinecarboxylate was prepared as follows: Add 1.6g (70mmol) of sodium metal to 50mL of anhydrous ethanol, wait for the reaction to be complete, ice-water bath cooled to 0C, add 7.3g (70mmol) formamidine acetate, followed by the slow dropwise addition of 15.1g (70mmol) diethyl ethoxymethylidene malonate , the reaction was continued at 0 C for 3 h. 1.6 g (70 mmol) of sodium metal dissolved in 50 mL of anhydrous ethanol was cooled to 0 C and added dropwise to the above reaction solution. After the reaction at room temperature overnight, the majority of the ethanol was removed to give a yellow solid. It was added to 100mL of water, heated until dissolved, and when cooled, 100mL of ether was added, stirred thoroughly, and the ether was separated to remove the raw material that had not reacted completely. Continue to heat to dissolve, use concentrated hydrochloric acid to adjust the pH of the solution to 2 ~ 3, after cooling, precipitated light yellow solid, filtered, vacuum dried, and finally obtained 9.4g of light yellow solid, the yield was 80%. |
| | Ethyl 4-hydroxypyrimidine-5-carboxylate Preparation Products And Raw materials |
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