4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzonitrile

Base Information

Chemical Name:4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzonitrile
CAS No.:89549-67-7
Molecular Formula:C18H11N5
Molecular Weight:297.319
Hs Code.:
DSSTox Substance ID:DTXSID60530035
Wikidata:Q82400879

Synonyms:89549-67-7;DTXSID60530035;4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzonitrile

Suppliers and Price of 4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzonitrile

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:297.10144537
Heavy Atom Count:23
Complexity:444

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)C4=CC=C(C=C4)C#N

Technology Process of 4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzonitrile

There total 4 articles about 4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%

: 89549-64-4
4-(4-Cyano-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid

: 89549-67-7
4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-benzonitrile

Guidance literature:: With sodium hydroxide; potassium hexacyanoferrate(III); In water; benzene; for 1h; Ambient temperature;

Reference yield:

: 5334-48-5
4-chloro-1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidine

: 89549-67-7
4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 57 percent / NaH (50percent in oil) / dimethylformamide / 0.5 h / Ambient temperature

2: 28 percent / 10percent NaOH / dimethylsulfoxide / 1 h / Ambient temperature

3: 82 percent / 50percent NaOH / dimethylsulfoxide / 1 h / Ambient temperature

4: 72 percent / K₃Fe(CN)6, 50percent NaOH / H₂O; benzene / 1 h / Ambient temperature

With sodium hydroxide; sodium hydride; potassium hexacyanoferrate(III); In water; dimethyl sulfoxide; N,N-dimethyl-formamide; benzene;

Reference yield:

: 89549-56-4
4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-carbonyl)-benzonitrile

: 89549-67-7
4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / 50percent NaOH / dimethylsulfoxide / 1 h / Ambient temperature

2: 72 percent / K₃Fe(CN)6, 50percent NaOH / H₂O; benzene / 1 h / Ambient temperature

With sodium hydroxide; potassium hexacyanoferrate(III); In water; dimethyl sulfoxide; benzene;