2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile

Base Information

• Chemical Name: 2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile
• CAS No.: 105387-95-9
• Molecular Formula: C18H12ClN3
• Molecular Weight: 305.766
• DSSTox Substance ID: DTXSID80351845
• Nikkaji Number: J583.235G
• Wikidata: Q82128617
• ChEMBL ID: CHEMBL223828
• Mol file: 105387-95-9.mol

Synonyms:2-amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile;105387-95-9;2-amino-4-(4-chlorophenyl)-6-phenylpyridine-3-carbonitrile;CHEMBL223828;CBMicro_025321;SCHEMBL3368776;DTXSID80351845;BDBM50194823;CCG-12411;MFCD00244176;STK831960;AKOS000286740;6H-380S;BIM-0025327.P001;CS-0335506;EU-0074000;SR-01000455032;SR-01000455032-1;2-amino-3-cyano-4-(4-chlorophenyl)-6-phenylpyridine;5579-40-8

Chemical Property of 2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 305.0719751
• Heavy Atom Count: 22
• Complexity: 404

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile

There total 19 articles about 2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile 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: 95.0%

4-chlorobenzaldehyde (104-88-1) + acetophenone (98-86-2) + malononitrile (109-77-3) → 2-amino-4-(4-chloro-phenyl)-6-phenyl-pyridine-3-carbonitrile (105387-95-9)

Guidance literature:

With ammonium formate; In water; at 50 ℃; for 0.333333h; Sonication;

DOI:10.1016/j.ultsonch.2012.01.005

Reference yield: 93.0%

4-chlorobenzylidenemalonodinitrile (1867-38-5) + acetophenone (98-86-2) → 2-amino-4-(4-chloro-phenyl)-6-phenyl-pyridine-3-carbonitrile (105387-95-9)

Guidance literature:

With ammonium acetate; In neat (no solvent); at 100 ℃; for 3h;

DOI:10.1016/j.tetlet.2015.09.042

Reference yield: 93.0%

4-(4-chloro-phenyl)-6-phenyl-2-(triphenylphosphoranylideneamino)-pyridine-3-carbonitrile (156638-75-4) → 2-amino-4-(4-chloro-phenyl)-6-phenyl-pyridine-3-carbonitrile (105387-95-9)

Guidance literature:

With acetic acid; In water; for 3h; Heating;

upstream raw materials:

4-(4-chloro-phenyl)-6-phenyl-2-(triphenylphosphoranylideneamino)-pyridine-3-carbonitrile

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one

malononitrile

p-chlorobenzylidene cyanoacetamide

Downstream raw materials:

5-(4-Chloro-phenyl)-3-(2-fluoro-phenyl)-4-imino-7-phenyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidine-2-thione

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