ChemicalBook--->CAS DataBase List--->4786-52-1

4786-52-1

4786-52-1 Structure

4786-52-1 Structure
IdentificationBack Directory
[Name]

Ethyl 4-hydroxypyrimidine-5-carboxylate
[CAS]

4786-52-1
[Synonyms]

7-chloroisoquinolin-1(2H)-one
ethyl 6-oxo-1H-pyrimidine-5-carboxylate
ETHYL 4-HYDROXYPYRIMIDINE-5-CARBOXYLATE
4-hydroxy-5-pyrimidinecarboxylicaciethylester
Ethyl 1,4-dihydro-4-oxo-5-pyrimidinecarboxylate
6-Hydroxypyrimidine-5-carboxylic acid ethyl ester
6-keto-1H-pyrimidine-5-carboxylic acid ethyl ester
4-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate LR
6-OXO-1,6-DIHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl 4-hydroxypyrimidine-5-carboxylate ISO 9001:2015 REACH
5-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-, ethyl ester
5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
4-Hydroxy-pyrimidine-5-carboxylic acid ethyl ester (HCl salt)
[Molecular Formula]

C7H8N2O3
[MDL Number]

MFCD00235034
[MOL File]

4786-52-1.mol
[Molecular Weight]

168.15
Chemical PropertiesBack Directory
[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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H302-H315-H319
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Hazard InformationBack Directory
[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 0°C, add 7.3g (70mmol) formamidine acetate, foll

Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 4-hydroxypyrimidine-5-carboxylate(4786-52-1)1HNMR
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