4-cyano-N-phenylbenzamide

Base Information

• Chemical Name: 4-cyano-N-phenylbenzamide
• CAS No.: 17922-96-2
• Molecular Formula: C14H10N2O
• Molecular Weight: 222.246
• DSSTox Substance ID: DTXSID40368974
• Nikkaji Number: J784.453K
• Wikidata: Q82155898
• Mol file: 17922-96-2.mol

Synonyms:4-cyano-N-phenylbenzamide;17922-96-2;Benzamide, 4-cyano-N-phenyl-;SCHEMBL3190254;DTXSID40368974;AKOS000189918;SB77371;BS-21856;CS-0208121;Z27782728

Chemical Property of 4-cyano-N-phenylbenzamide

Chemical Property:

• PSA: 52.89000
• LogP: 2.88358
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.079312947
• Heavy Atom Count: 17
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

4-Cyano-N-phenylbenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-cyano-N-phenylbenzamide

There total 26 articles about 4-cyano-N-phenylbenzamide 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%

4-chlorobenzanilide (6833-15-4) + dicyanozinc (557-21-1) → 4-cyanobenzanilide (17922-96-2)

Guidance literature:

dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In water; N,N-dimethyl-formamide; at 150 ℃; for 0.5h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.03.026

Reference yield: 92.0%

4-cyanobenzoyl chlorIde (6068-72-0) + aniline (62-53-3) → 4-cyanobenzanilide (17922-96-2)

Guidance literature:

With pyridine; In dichloromethane; for 20h;

DOI:10.1016/S0014-827X(01)01108-9

Reference yield: 92.0%

1-(4-cyanobenzoyl)pyrrolidin-2-one + aniline (62-53-3) → 4-cyanobenzanilide (17922-96-2)

Guidance literature:

With di-tert-butyl peroxide; tetra-(n-butyl)ammonium iodide; In water; for 16h; Heating; Green chemistry;

DOI:10.1039/d1ob00967b

upstream raw materials:

4-cyanobenzoic Acid

4-phenylaminomethyl-benzonitrile

4-cyanobenzoyl chlorIde

aniline

Downstream raw materials:

4-(4-(dimethylamino)benzoyl)benzonitrile

1-oxo-3-hydroxy-1,3-dihydro-N-phenylisoindole-5-carbonitrile

C₁₄H₁₁N₅O

2-(4-cyanophenyl)benzothiazole