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150712-24-6

150712-24-6 Structure

150712-24-6 Structure
IdentificationBack Directory
[Name]

5-BENZYL-1H-PYRAZOL-3-AMINE
[CAS]

150712-24-6
[Synonyms]

5-BENZYL-1H-PYRAZOL-3-AMINE
5-Benzyl-2H-pyrazol-3-amine
5-Benzyl-3-amino-1H-pyrazole
5-Benzyl-1H-pyrazol-3-ylamine
1H-Pyrazol-3-amine, 5-(phenylmethyl)-
Acetamide,N-[6-(aminosulfonyl)phenyl]-
[Molecular Formula]

C10H11N3
[MDL Number]

MFCD09991902
[MOL File]

150712-24-6.mol
[Molecular Weight]

173.21
Chemical PropertiesBack Directory
[Boiling point ]

405.3±30.0 °C(Predicted)
[density ]

1.214±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

15.92±0.10(Predicted)
[Appearance]

Off-white to yellow Solid
Spectrum DetailBack Directory
[Spectrum Detail]

5-BENZYL-1H-PYRAZOL-3-AMINE(150712-24-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-OXO-4-PHENYLBUTYRONITRILE

19212-27-2

5-BENZYL-1H-PYRAZOL-3-AMINE

150712-24-6

General procedure for the synthesis of 3-amino-5-benzyl-1H-pyrazole from 3-oxo-4-phenylbutanenitrile: A mixed solution of 3-oxo-4-phenylbutanenitrile (Method 26; 0.58 g, 3.64 mmol) with hydrazine monohydrate (0.177 mL, 3.64 mmol) in ethanol (16 mL) was heated and refluxed for 3 hours. Upon completion of the reaction, the mixture was cooled to 25 °C and subsequently concentrated under reduced pressure. The reaction mixture was extracted with dichloromethane (15 mL) and washed twice with saturated saline. The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure to give an orange solid. The solid was ground with a mixture of hexane and ether (1:1) and collected by filtration to afford 3-amino-5-benzyl-1H-pyrazole as a yellow solid (0.38 g, 60% yield).1H NMR (400 MHz, CDCl3) δ 3.9 (s, 2H), 4.89 (br s, 1H), 5.44 (s, 1H), 7.19-7.34 (m 5H). Mass spectrum (MS): calculated value: 173; measured value: [M + H]+ 174.

[References]

[1] Patent: WO2005/49033, 2005, A1. Location in patent: Page/Page column 99
[2] Patent: WO2008/62026, 2008, A1. Location in patent: Page/Page column 20
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