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138907-68-3

138907-68-3 Structure

138907-68-3 Structure
IdentificationMore
[Name]

ETHYL 5-AMINO-1-(4-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLATE
[CAS]

138907-68-3
[Synonyms]

BUTTPARK 23\09-43
AKOS BBS-00007066
TIMTEC-BB SBB000884
SALOR-INT L251488-1EA
ETHYL 5-AMINO-1-(4-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLATE
ETHYL 5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester
5-Amino-4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazole, 1-[5-Amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]-4-fluorobenzene
[Molecular Formula]

C12H12FN3O2
[MDL Number]

MFCD00173917
[Molecular Weight]

249.24
[MOL File]

138907-68-3.mol
Chemical PropertiesBack Directory
[Melting point ]

153 °C
[Boiling point ]

380.0±32.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[pka]

0.99±0.14(Predicted)
[Appearance]

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

138907-68-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HS Code ]

2933199090
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 5-AMINO-1-(4-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLATE(138907-68-3)1HNMR
ETHYL 5-AMINO-1-(4-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLATE(138907-68-3)19FNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate(138907-68-3)
[Sigma Aldrich]

138907-68-3(sigmaaldrich)
Hazard InformationBack Directory
[Synthesis]

Ethyl (ethoxymethylene)cyanoacetate

94-05-3

ETHYL 5-AMINO-1-(4-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLATE

138907-68-3

The general procedure for the synthesis of ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate from ethyl ethoxymethylcyanoacetate was as follows: 11.38 g (70.0 mmol) of 4-fluorophenylhydrazine hydrochloride, 11.84 g (70.0 mmol) of ethyl ethoxymethylcyanoacetate and 9.67 g (70.0 mmol) of potassium carbonate were dissolved in 100 mL of ethanol The reaction was heated to reflux overnight. After the reaction was completed, 300 mL of water was added to the reaction mixture and a precipitate was precipitated. The precipitate was collected by filtration and dried under vacuum to give 12.87 g of light yellow crystalline solid in 74% yield. The product was recrystallized from ethanol and the melting point was 151-152 °C. Elemental analysis results (C12H12FN3O2): calculated value C 57.82%, H 4.85%, N 16.86%; measured value C 57.82%, H 4.78%, N 16.79%.

[References]

[1] Patent: US5064851, 1991, A
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