9-Phenyl-9H-purine-6-carbonitrile

Base Information

• Chemical Name: 9-Phenyl-9H-purine-6-carbonitrile
• CAS No.: 62196-39-8
• Molecular Formula: C12H7N5
• Molecular Weight: 221.221
• DSSTox Substance ID: DTXSID10442775
• Nikkaji Number: J848.082F
• Wikidata: Q82260253
• Mol file: 62196-39-8.mol

Synonyms:9-Phenyl-9H-purine-6-carbonitrile;62196-39-8;9H-Purine-6-carbonitrile, 9-phenyl-;SCHEMBL19207498;DTXSID10442775

Chemical Property of 9-Phenyl-9H-purine-6-carbonitrile

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 221.07014524
• Heavy Atom Count: 17
• Complexity: 316

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C#N

Technology Process of 9-Phenyl-9H-purine-6-carbonitrile

There total 5 articles about 9-Phenyl-9H-purine-6-carbonitrile 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: 88.0%

6-(p-toluenesulfonyl)-9-phenyl-9H-purine (62141-41-7) + potassium cyanide (151-50-8) → 9-phenyl-9H-purine-6-carbonitrile (62196-39-8)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; for 1h;

DOI:10.3987/COM-94-S(B)38

Reference yield: 63.0%

6-Chloro-9-phenyl-9H-purine (5470-24-6) + potassium cyanide (151-50-8) → 9-phenyl-9H-purine-6-carbonitrile (62196-39-8)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.3987/COM-89-S14

Reference yield: 41.0%

1-benzoyl-1,6-dihydro-9-phenyl-9H-purine-6-carbonitrile (116943-97-6) → 9-phenyl-9H-purine-6-carbonitrile (62196-39-8) + 9-phenyl-9H-purine (70786-03-7) + 1-cyanobenzyl benzoate (4242-46-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 0.25h; Heating;

upstream raw materials:

6-Chloro-9-phenyl-9H-purine

potassium cyanide

1-benzoyl-1,6-dihydro-9-phenyl-9H-purine-6-carbonitrile

6-(p-toluenesulfonyl)-9-phenyl-9H-purine

Downstream raw materials:

9-phenyl-6-(1-piperidinecarboximidoyl)9H-purne

methyl 5-amino-6-anilino-4-pyrimidinecarboxylate

9-phenyl-9H-purine-6-carboxamide

methyl 9-phenyl-9H-purine-6-carboxylate