1-(Biphenyl-2-yl) piperazine

Base Information

• Chemical Name: 1-(Biphenyl-2-yl) piperazine
• CAS No.: 180698-18-4
• Molecular Formula: C16H18N2
• Molecular Weight: 238.332
• UNII: T5S5265H6V
• DSSTox Substance ID: DTXSID901029791
• Wikipedia: 1-(2-Diphenyl)piperazine
• Wikidata: Q4545723
• Pharos Ligand ID: QHMP9APFPSB3
• ChEMBL ID: CHEMBL494675
• Mol file: 180698-18-4.mol

Synonyms:180698-18-4;1-(biphenyl-2-yl) piperazine;1-(2-phenylphenyl)piperazine;1-(2-diphenyl)piperazine;1-([1,1'-Biphenyl]-2-yl)piperazine;1-(biphenyl-2-yl)piperazine;CHEMBL494675;T5S5265H6V;1-{[1,1'-biphenyl]-2-yl}piperazine;1-(2-Biphenyl)piperazine 2HCl;1-biphenyl-2-yl-piperazine;1-(2-Biphenylyl)piperazine;UNII-T5S5265H6V;SCHEMBL3759275;RKRVRTJVCWZOQS-UHFFFAOYSA-N;DTXSID901029791;BDBM50395191;AKOS009159321;HG-0209;Q4545723

Chemical Property of 1-(Biphenyl-2-yl) piperazine

Chemical Property:

• Melting Point: 149 °C
• Boiling Point: 413.4±33.0 °C(Predicted)
• PSA: 15.27000
• Density: 1.068±0.06 g/cm3(Predicted)
• LogP: 3.15700
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.146998583
• Heavy Atom Count: 18
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

1-(2-BIPHENYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2C3=CC=CC=C3
• Uses: 1-[1,1''-Biphenyl]-2-ylpiperazine is a reactant used in the synthesis of aralkyl piperazine derivatives and compounds containing substituted aryl-piperazines and piperidines.

Technology Process of 1-(Biphenyl-2-yl) piperazine

There total 6 articles about 1-(Biphenyl-2-yl) piperazine 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: 75.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 2-phenylaniline (90-41-5) → 1-([1,1'-biphenyl]-2-yl)piperazine (180698-18-4)

Guidance literature:

With potassium carbonate; sodium iodide; In diethylene glycol dimethyl ether; for 3.5h; Heating;

DOI:10.1021/jm970166j

Reference yield:

tert-butyl 4-([1,1'-biphenyl]-2-yl)piperazine-1-carboxylate → 1-([1,1'-biphenyl]-2-yl)piperazine (180698-18-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

C22H21N3O4S → 1-([1,1'-biphenyl]-2-yl)piperazine (180698-18-4)

Guidance literature:

With potassium carbonate; thiophenol; In dimethyl sulfoxide; acetonitrile; at 50 ℃; for 3h;

DOI:10.1021/jo101478c

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

2-phenylaniline

4-(2-bromophenyl)piperazine-1-carboxylic acid tert-butyl ester

2,3-dibromobenzene

Downstream raw materials:

C₃₁H₃₆N₄O₅

4-amino-N-[2-(4-biphenyl-2-yl-piperazin-1-yl)-2-oxo-ethyl]-3-methoxy-benzamide

isoquinoline-6-carboxylic acid [2-(4-biphenyl-2-yl-piperazin-1-yl)-2-oxo-ethyl]amide

3-{2-[4-(2-biphenyl)piperazin-1-yl]ethoxy}-N-[(4-trifluoromethylphenyl)methyl]propanamide