4-Anilino-6-phenylpyrimidine-5-carbonitrile

Base Information

• Chemical Name: 4-Anilino-6-phenylpyrimidine-5-carbonitrile
• CAS No.: 76990-17-5
• Molecular Formula: C17H12N4
• Molecular Weight: 272.309
• DSSTox Substance ID: DTXSID90506687
• Mol file: 76990-17-5.mol

Synonyms:76990-17-5;4-PHENYL-6-(PHENYLAMINO)PYRIMIDINE-5-CARBONITRILE;4-Anilino-6-phenylpyrimidine-5-carbonitrile;DTXSID90506687

Chemical Property of 4-Anilino-6-phenylpyrimidine-5-carbonitrile

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 272.106196400
• Heavy Atom Count: 21
• Complexity: 362

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=NC=N2)NC3=CC=CC=C3)C#N

Technology Process of 4-Anilino-6-phenylpyrimidine-5-carbonitrile

There total 7 articles about 4-Anilino-6-phenylpyrimidine-5-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: 79.0%

1-phenyl-4-phenylpyrazolo<3,4-d>pyrimidine (53645-78-6) → 6-anilino-4-phenyl-5-pyrimidinecarbonitrile (76990-17-5)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 3h; Ambient temperature;

Reference yield: 44.0%

2-<(N,N-dimethylaminomethylene)amino>-1,1-dicyano-2-phenylethene (76990-22-2) + aniline (62-53-3) → 6-anilino-4-phenyl-5-pyrimidinecarbonitrile (76990-17-5)

Guidance literature:

at 110 - 120 ℃; for 2h;

Reference yield:

phenyl-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-methanone (59563-84-7) → 6-anilino-4-phenyl-5-pyrimidinecarbonitrile (76990-17-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / 50percent NaOH / dimethylsulfoxide / 1 h / Ambient temperature

2: 85 percent / K₃Fe(CN)6, 50percent NaOH / H₂O; benzene / 1 h / Ambient temperature

3: 79 percent / 50percent NaOH / dimethylsulfoxide / 3 h / Ambient temperature

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

upstream raw materials:

1-phenyl-4-phenylpyrazolo<3,4-d>pyrimidine

2-<(N,N-dimethylaminomethylene)amino>-1,1-dicyano-2-phenylethene

aniline

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