ChemicalBook--->CAS DataBase List--->51940-63-7

51940-63-7

51940-63-7 Structure

51940-63-7 Structure
IdentificationBack Directory
[Name]

ethyl 6-chloropyrimidine-4-carboxylate
[CAS]

51940-63-7
[Synonyms]

Ethyl 6-chloropyriMidine-...
Ethyl 4-chloro-6-pyrimidinecarboxylate
ethyl 6-chloropyrimidine-4-carboxylate
6-Chloro-4-pyriMidinecarboxylic acid ethyl ester
6-Chloro-pyriMidine-4-carboxylic acid ethyl ester
6-chloro-4-Pyrimidine carbocylic acid ethyl ester
4-PyriMidinecarboxylic acid, 6-chloro-, ethyl ester
[Molecular Formula]

C7H7ClN2O2
[MDL Number]

MFCD12756023
[MOL File]

51940-63-7.mol
[Molecular Weight]

186.596
Chemical PropertiesBack Directory
[Boiling point ]

284.5±20.0 °C(Predicted)
[density ]

1.311±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-2.89±0.17(Predicted)
[Appearance]

Off-white to light brown Solid
[CAS DataBase Reference]

51940-63-7
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P280-P301+P312-P362+P364
[HS Code ]

2933599590
Spectrum DetailBack Directory
[Spectrum Detail]

ethyl 6-chloropyrimidine-4-carboxylate(51940-63-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Pyrimidinecarbonyl chloride, 6-chloro- (9CI)

263270-52-6

Ethanol

64-17-5

ethyl 6-chloropyrimidine-4-carboxylate

51940-63-7

GENERAL STEPS: 6-Chloropyrimidine-4-carbonyl chloride (1.0 g, 5.65 mmol) was mixed with ethanol (0.4 mL, 6.94 mmol) in 30 mL of dichloromethane and the reaction was stirred at room temperature overnight. After completion of the reaction, the solvent was removed by distillation under reduced pressure. The product ethyl 6-chloropyrimidine-4-carboxylate was obtained in a yield of 1.0 g, which was 95% of the theoretical value. The product was analyzed by ESI-MS, m/z = 187/189 ([M + H]+), and the Rf value of thin layer chromatography (silica gel plate) was 0.85 (unfolding agent: EtOAc).

[References]

[1] Patent: US2011/21500, 2011, A1. Location in patent: Page/Page column 39
[2] Patent: US2011/195954, 2011, A1. Location in patent: Page/Page column 79
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