Benzonitrile, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)carbonyl]-

Base Information

Chemical Name:Benzonitrile, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)carbonyl]-
CAS No.:89549-56-4
Molecular Formula:C19H11N5O
Molecular Weight:325.329
Hs Code.:
DSSTox Substance ID:DTXSID70454819
Nikkaji Number:J338.175G
Wikidata:Q82276577

Synonyms:89549-56-4;Benzonitrile, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)carbonyl]-;DTXSID70454819;1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl(4-cyanophenyl) ketone

Suppliers and Price of Benzonitrile, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)carbonyl]-

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

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Chemical Property of Benzonitrile, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)carbonyl]-

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:325.09635999
Heavy Atom Count:25
Complexity:529

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)C(=O)C4=CC=C(C=C4)C#N

Technology Process of Benzonitrile, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)carbonyl]-

There total 5 articles about Benzonitrile, 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)carbonyl]- 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: 58.0%

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

: 105-07-7
4-cyanobenzaldehyde

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

Guidance literature:: With sodium hydride; 1,3-dimethylimidazolim iodide; In 1,4-dioxane; for 0.25h; Heating;
DOI:10.1248/cpb.42.2017

Reference yield: 28.0%

: 89549-84-8
Benzoic acid cyano-(4-cyano-phenyl)-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-methyl ester

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

Guidance literature:: With sodium hydroxide; In dimethyl sulfoxide; for 1h; Ambient temperature;

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 2 steps

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

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

With sodium hydroxide; sodium hydride; In dimethyl sulfoxide; N,N-dimethyl-formamide;