| Identification | Back Directory | [Name]
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE | [CAS]
51516-67-7 | [Synonyms]
BUTTPARK 87\09-40
5-Amino-1-(4-chlorophenyl)
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-&
5-aMino-1-(4-chlorophenyl)-1H-pyrazole-4-
5-AMINO-1-(4-CHLOROPHENYL)-4-CYANOPYRAZOLE
5-AMINO-4-CYANO-1-(4-CHLOROPHENYL)PYRAZOLE
5-amino-1 -(4-chlorophenyl) -4-cyano-1H-pyrazole
5-Amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-chlorophenyl)-
5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile ,97% | [Molecular Formula]
C10H7ClN4 | [MDL Number]
MFCD00052031 | [MOL File]
51516-67-7.mol | [Molecular Weight]
218.64 |
| Chemical Properties | Back Directory | [Melting point ]
169-173 °C
| [Boiling point ]
424.2±40.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
solid | [pka]
-1.15±0.10(Predicted) | [Appearance]
Light brown to yellow Solid | [InChI]
1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 | [InChIKey]
WIWSALMJHPGFDY-UHFFFAOYSA-N | [SMILES]
Nc1c(cnn1-c2ccc(Cl)cc2)C#N |
| Hazard Information | Back Directory | [Chemical Properties]
White to off-white crystalline powder | [Synthesis]
GENERAL METHOD: 4-Chlorophenylhydrazine (0.001 mol) was mixed with 10 mL of ethanol, stirred and heated to reflux. Subsequently, ethoxymethylene malononitrile (0.001 mol) dissolved in 10 mL of ethanol was added slowly and dropwise. The reaction mixture was kept at reflux for 2 hours. After completion of the reaction, the mixture was poured into 50 mL of ice water. The precipitate precipitated was collected by filtration and washed with cold water to afford 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile in 61-80% yield. | [References]
[1] Heterocyclic Communications, 2005, vol. 11, # 5, p. 385 - 388
[2] Medicinal Chemistry Research, 2018, vol. 27, # 8, p. 1876 - 1884
[3] European Journal of Medicinal Chemistry, 2008, vol. 43, # 4, p. 771 - 780
[4] Journal of Medicinal Chemistry, 1991, vol. 34, # 9, p. 2892 - 2898
[5] Australian Journal of Chemistry, 1989, vol. 42, # 5, p. 747 - 750 |
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