3-Cyano-4-(4-chlorophenyl)-6-phenylpyridine-2(1H)-one

Base Information

• Chemical Name: 3-Cyano-4-(4-chlorophenyl)-6-phenylpyridine-2(1H)-one
• CAS No.: 65429-76-7
• Molecular Formula: C18H11ClN2O
• Molecular Weight: 306.751
• DSSTox Substance ID: DTXSID60353988
• Nikkaji Number: J2.380.617G
• Wikidata: Q82131892

Synonyms:65429-76-7;ZINC04637572;CBMicro_037268;Oprea1_682245;DTXSID60353988;STK865470;AKOS003815750;BIM-0037412.P001;4-(4-chlorophenyl)-6-phenyl-3-cyano-2-pyridone;4-(4-chlorophenyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

Chemical Property of 3-Cyano-4-(4-chlorophenyl)-6-phenylpyridine-2(1H)-one

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 306.0559907
• Heavy Atom Count: 22
• Complexity: 555

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)Cl

Technology Process of 3-Cyano-4-(4-chlorophenyl)-6-phenylpyridine-2(1H)-one

There total 10 articles about 3-Cyano-4-(4-chlorophenyl)-6-phenylpyridine-2(1H)-one 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: 85.0%

4-chlorobenzaldehyde (104-88-1) + acetophenone (98-86-2) + cyanoacetic acid amide (107-91-5) → 4-(4-chlorophenyl)-1,2-dihydro-2-oxo-6-phenylpyridine-3-carbonitrile (65429-76-7)

Guidance literature:

With sodium hydroxide; at 70 ℃; for 0.5h;

DOI:10.1080/00397910701749682

Reference yield: 83.0%

4-chlorobenzaldehyde (104-88-1) + acetophenone (98-86-2) + ethyl 2-cyanoacetate (105-56-6) → 4-(4-chlorophenyl)-1,2-dihydro-2-oxo-6-phenylpyridine-3-carbonitrile (65429-76-7)

Guidance literature:

With ammonium acetate; In neat (no solvent); at 120 - 130 ℃; for 0.0833333h; Green chemistry;

DOI:10.1007/s11164-012-0972-4

Reference yield: 81.0%

4-chlorobenzaldehyde (104-88-1) + acetophenone (98-86-2) + malononitrile (109-77-3) → 4-(4-chlorophenyl)-1,2-dihydro-2-oxo-6-phenylpyridine-3-carbonitrile (65429-76-7)

Guidance literature:

With sodium hydroxide; at 70 ℃; for 0.5h;

DOI:10.1246/cl.2006.1314

upstream raw materials:

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

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

cyanoacetic acid amide

4-chlorobenzaldehyde

Downstream raw materials:

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

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

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

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