2-Amino-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile

Base Information

• Chemical Name: 2-Amino-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile
• CAS No.: 77034-31-2
• Molecular Formula: C₁₈H₁₇N₅
• Molecular Weight: 303.366
• European Community (EC) Number: 864-904-4
• ChEMBL ID: CHEMBL1215030
• Nikkaji Number: J2.901.979G
• Mol file: 77034-31-2.mol

Synonyms:CHEMBL1215030;BDBM50324058;AKOS034131413;77034-31-2;EN300-1659339;Z3034577022;2-amino-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile;2-Amino-6-(piperidin-1''-yl)-4-phenylpyridine-3,5-dicarbonitrile

Chemical Property of 2-Amino-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 303.14839556
• Heavy Atom Count: 23
• Complexity: 488

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

Technology Process of 2-Amino-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile

There total 3 articles about 2-Amino-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile 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: 97.0%

piperidine (110-89-4) + 6-amino-2-chloro-4-phenylpyridine-3,5-dicarbonitrile (96583-92-5) → 2-amino-6-(piperidin-1-yl)-4-phenylpyridine-3,5-dicarbonitrile (77034-31-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; ethanol; for 2h; Reflux;

DOI:10.1016/j.bmc.2010.06.095

Reference yield: 83.0%

piperidine (110-89-4) + benzaldehyde (100-52-7) + malononitrile (109-77-3) → 2-amino-6-(piperidin-1-yl)-4-phenylpyridine-3,5-dicarbonitrile (77034-31-2)

Guidance literature:

benzaldehyde; malononitrile; With dmap; In methanol; at 20 ℃; for 1h;

piperidine; In methanol; for 7h; chemoselective reaction;

DOI:10.1039/c4ra08237k

Reference yield: 60.0%

piperidine (110-89-4) + 5-benzylidenebarbituric acid (27402-47-7) + malononitrile (109-77-3) → 2-amino-6-(piperidin-1-yl)-4-phenylpyridine-3,5-dicarbonitrile (77034-31-2)

Guidance literature:

In ethanol; at 20 ℃; Reflux;

DOI:10.3987/COM-10-12073

upstream raw materials:

piperidine

6-amino-2-chloro-4-phenylpyridine-3,5-dicarbonitrile

5-benzylidenebarbituric acid

malononitrile

Downstream raw materials:

2-chloro-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile