| Identification | Back Directory | [Name]
4-CHLORO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER | [CAS]
41103-17-7 | [Synonyms]
ETHYL 4-CHLOROPYRIMIDINE-5-CARBOXYLATE
4-CHLORO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
5-Pyrimidinecarboxylic acid, 4-chloro-, ethyl ester | [Molecular Formula]
C7H7ClN2O2 | [MDL Number]
MFCD07371659 | [MOL File]
41103-17-7.mol | [Molecular Weight]
186.6 |
| Chemical Properties | Back Directory | [Boiling point ]
278.2±20.0 °C(Predicted) | [density ]
1.311±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [form ]
semi-solid | [pka]
-1.62±0.16(Predicted) | [color ]
Yellow | [InChI]
InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-9-4-10-6(5)8/h3-4H,2H2,1H3 | [InChIKey]
AZJAMMCCAZZXIK-UHFFFAOYSA-N | [SMILES]
C1=NC=C(C(OCC)=O)C(Cl)=N1 |
| Hazard Information | Back Directory | [Uses]
Ethyl 4-Chloro-5-pyrimidinecarboxylate is a reagent used in the synthesis of a series of novel orally active non-peptide angiotensin II antagonists. | [Synthesis]
Ethyl 4-hydroxy-5-pyrimidinecarboxylate (380 mg, 2.26 mmol) was dissolved in tetrahydrofuran (THF, 5 mL) and thionyl chloride (1.65 mL, 22.6 mmol) was added slowly. The reaction mixture was heated to reflux and kept for 4 hours. Upon completion of the reaction, the reaction solution was concentrated by rotary evaporator under reduced pressure to give 417 mg (99% yield) of ethyl 4-chloropyrimidine-5-carboxylate as crude product. The crude product could be used directly in the subsequent reaction without further purification or characterization. | [References]
[1] Patent: WO2006/91506, 2006, A2. Location in patent: Page/Page column 40
[2] Patent: WO2006/49681, 2006, A2. Location in patent: Page/Page column 38
[3] Patent: WO2006/121588, 2006, A2. Location in patent: Page/Page column 44
[4] Patent: WO2006/121860, 2006, A2. Location in patent: Page/Page column 44
[5] Patent: WO2006/121904, 2006, A1. Location in patent: Page/Page column 44 |
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