Phenyl(4-phenylpiperazin-1-yl)methanone

Base Information

• Chemical Name: Phenyl(4-phenylpiperazin-1-yl)methanone
• CAS No.: 18907-52-3
• Molecular Formula: C17H18N2O
• Molecular Weight: 266.343
• NSC Number: 87018
• DSSTox Substance ID: DTXSID20940419
• ChEMBL ID: CHEMBL240734

Synonyms:phenyl(4-phenylpiperazin-1-yl)methanone;18907-52-3;1-benzoyl-4-phenylpiperazine;methanone, phenyl(4-phenyl-1-piperazinyl)-;phenyl-(4-phenylpiperazin-1-yl)methanone;MLS002694728;piperazine, a1;NSC87018;TimTec1_002842;NCIOpen2_005373;Oprea1_206925;Oprea1_741743;CHEMBL240734;SCHEMBL8595777;BDBM25772;DTXSID20940419;HMS1542B04;HMS3087A23;phenyl(4-phenylpiperazino)methanone;NSC-87018;STK083160;AKOS000671099;SMR001485649;CS-0333747;EU-0035529;AB00082368-01;AE-641/00603022;EN300-17958125;SR-01000406847;SR-01000406847-1;BRD-K15496213-001-01-9;Z27769997

Chemical Property of Phenyl(4-phenylpiperazin-1-yl)methanone

Chemical Property:

• Vapor Pressure: 4.61E-08mmHg at 25°C
• Refractive Index: 1.61
• Boiling Point: 443.5 °C at 760 mmHg
• Flash Point: 199.1 °C
• Density: 1.159 g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 266.141913202
• Heavy Atom Count: 20
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenyl(4-phenylpiperazin-1-yl)methanone

There total 9 articles about Phenyl(4-phenylpiperazin-1-yl)methanone 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: 98.0%

4-phenyl-1-piperazine (92-54-6) + benzoic acid (65-85-0,8013-63-6) → phenyl(4-phenylpiperazin-1-yl)methanone (18907-52-3)

Guidance literature:

With oligomeric alkyl cyclohexylcarbodiimide; In dichloromethane; at 0 - 25 ℃;

DOI:10.1021/jo048870c

Reference yield: 98.0%

4-phenyl-1-piperazine (92-54-6) + benzoic acid ethyl ester (93-89-0,99341-95-4) → phenyl(4-phenylpiperazin-1-yl)methanone (18907-52-3)

Guidance literature:

With potassium tert-butylate; In neat (no solvent); for 1h; Autoclave;

DOI:10.1002/anie.202106412

Reference yield: 85.0%

4-phenyl-1-piperazine (92-54-6) + benzoyl chloride (98-88-4) → phenyl(4-phenylpiperazin-1-yl)methanone (18907-52-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jo049934m

upstream raw materials:

4-phenyl-1-piperazine

benzoyl chloride

benzoic acid

bis(2-bromoethyl)amine hydrobromide

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