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52217-38-6

52217-38-6 Structure

52217-38-6 Structure
IdentificationBack Directory
[Name]

1H-Pyrazolo[3,4-b]pyridine-5-carbonitrile, 6,7-dihydro-3-methyl-6-oxo-1-phenyl-
[CAS]

52217-38-6
[Synonyms]

3-methyl-6-oxo-1-phenyl-7H-pyrazolo[3,4-b]pyridine-5-carbonitrile
6,7-dihydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
3-Methyl-6-oxo-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
1H-Pyrazolo[3,4-b]pyridine-5-carbonitrile, 6,7-dihydro-3-methyl-6-oxo-1-phenyl-
[Molecular Formula]

C14H10N4O
[MDL Number]

MFCD11890435
[MOL File]

52217-38-6.mol
[Molecular Weight]

250.26
Chemical PropertiesBack Directory
[Melting point ]

306-308 °C(Solv: acetic acid (64-19-7))
[Boiling point ]

504.8±50.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[pka]

9.68±0.40(Predicted)
[InChI]

InChI=1S/C14H10N4O/c1-9-12-7-10(8-15)14(19)16-13(12)18(17-9)11-5-3-2-4-6-11/h2-7H,1H3,(H,16,19)
[InChIKey]

ZLQQCJLXBVVVMR-UHFFFAOYSA-N
[SMILES]

C12N(C3=CC=CC=C3)N=C(C)C=1C=C(C#N)C(=O)N2
Hazard InformationBack Directory
[Synthesis]

Synthesis of 7-amino-3-methyl-6-oxo-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile: Cyclocondensation of 2 with 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde yielded 7-amino-3-methyl-6-oxo-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5- carbonitrile 84[1].
Synthesis of 7-amino-3-methyl-6-oxo-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
[References]

[1] S. Bondock, A. F., Abd El-Gaber El-Tarhoni. (2006). Utility of cyanoacetic acid hydrazide in heterocyclic synthesis. Arkivoc, 2006 1. https://doi.org/10.3998/ark.5550190.0007.905
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