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14678-87-6

14678-87-6 Structure

14678-87-6 Structure
IdentificationBack Directory
[Name]

5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
[CAS]

14678-87-6
[Synonyms]

BUTTPARK 19\09-71
AKOS BBS-00004494
SALOR-INT L251445-1EA
ETHYL 5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
5-amino-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid ethyl ester
5-amino-1-(4-chlorophenyl)pyrazole-4-carboxylic acid ethyl ester
5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-, ethyl ester
[Molecular Formula]

C12H12ClN3O2
[MDL Number]

MFCD00973905
[MOL File]

14678-87-6.mol
[Molecular Weight]

265.7
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Spectrum DetailBack Directory
[Spectrum Detail]

5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(14678-87-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-cyano-3-Methoxy-acrylic acid ethyl ester

68350-76-5

4-Chlorophenylhydrazine

1073-69-4

5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

14678-87-6

General procedure for the synthesis of ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate from ethyl 2-cyano-3-methoxyacrylate and p-chlorophenylhydrazine: 5 g (28 mmol) of p-chlorophenylhydrazine, 3.86 g (28 mmol) of potassium carbonate, and 4.7 g (28 mmol) of ethyl 2-cyano-3-methoxyacrylate were sequentially added to a 100 mL round bottomed flask. The reaction mixture was stirred under reflux conditions for 24 hours. Upon completion of the reaction, 150 mL of ethyl acetate was added to the reaction mixture, followed by washing twice with 100 mL of water. The organic layer was separated, dried with anhydrous magnesium sulfate, and the solvent was removed by distillation under reduced pressure to afford 6.88 g (26 mmol) of ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate of the target compound in 92% yield. The product was analyzed by mass spectrometry (EI) showing a molecular ion peak of 266 (M++1). The nuclear magnetic resonance hydrogen spectrum (1H-NMR, CDCl3) data were as follows: δ 7.78 (1H, s), 7.52-7.47 (4H, m), 5.28 (2H, brs), 4.31 (2H, q, J=8Hz), 1.37 (3H, t, J=8Hz).

[References]

[1] Patent: WO2005/40127, 2005, A1. Location in patent: Page/Page column 39
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