Benzonitrile, 4-(4-phenyl-1-piperazinyl)-

Base Information

• Chemical Name: Benzonitrile, 4-(4-phenyl-1-piperazinyl)-
• CAS No.: 173976-02-8
• Molecular Formula: C17H17N3
• Molecular Weight: 263.342
• DSSTox Substance ID: DTXSID40452261
• Nikkaji Number: J1.038.155J
• Wikidata: Q82272770
• ChEMBL ID: CHEMBL1946711

Synonyms:Benzonitrile, 4-(4-phenyl-1-piperazinyl)-;4-(4-phenylpiperazin-1-yl)benzonitrile;173976-02-8;CHEMBL1946711;DTXSID40452261;4-(4-Phenylpiperazino)benzonitrile;AKOS000221784;4-(4-phenyl-1-piperazinyl)benzonitrile

Chemical Property of Benzonitrile, 4-(4-phenyl-1-piperazinyl)-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 263.142247555
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)C#N

Technology Process of Benzonitrile, 4-(4-phenyl-1-piperazinyl)-

There total 5 articles about Benzonitrile, 4-(4-phenyl-1-piperazinyl)- 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: 90.0%

4-Cyanochlorobenzene (623-03-0) + 4-phenyl-1-piperazine (92-54-6) → 4-(4-phenyl-piperazin-1-yl)benzonitrile (173976-02-8)

Guidance literature:

With sodium t-butanolate; 3-dioxolane; Pd(dba)2*2-(2'-dicyclohexylphosphinophenyl)-2-methyl-1; In toluene; at 105 ℃; for 1h;

DOI:10.1016/S0040-4039(98)02597-0

Reference yield: 87.0%

N-(4-cyanophenyl)piperazine (68104-63-2) → 4-(4-phenyl-piperazin-1-yl)benzonitrile (173976-02-8)

Guidance literature:

With copper diacetate; triethylamine; In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1021/jo049183o

Reference yield: 85.0%

4-phenyl-1-piperazine (92-54-6) + 4-iodobenzonitrile (3058-39-7) → 4-(4-phenyl-piperazin-1-yl)benzonitrile (173976-02-8)

Guidance literature:

With cesium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 3.5h;

DOI:10.1055/s-2004-830853

upstream raw materials:

4-Cyanochlorobenzene

4-phenyl-1-piperazine

4-iodobenzonitrile

N-(4-cyanophenyl)piperazine

Downstream raw materials:

3-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-benzimidazole

4-(4-phenylpiperazin-1-yl)-N-hydroxybenzamidine

N-(3-methylbutyl)-4-(4-phenylpiperazin-1-yl)benzenecarboximidamide hydrochloride

N-octyl-4-(4-phenylpiperazin-1-yl)benzenecarboximidamide hydrochloride

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