1-Biphenyl-3-yl-piperazine

Base Information

• Chemical Name: 1-Biphenyl-3-yl-piperazine
• CAS No.: 115761-61-0
• Molecular Formula: C16H18N2
• Molecular Weight: 238.332
• Hs Code.: 2933599090
• European Community (EC) Number: 675-161-9
• DSSTox Substance ID: DTXSID30373491
• Wikidata: Q82161684
• Pharos Ligand ID: XTZN3Z6LTRBK
• ChEMBL ID: CHEMBL2164331
• Mol file: 115761-61-0.mol

Synonyms:115761-61-0;1-biphenyl-3-yl-piperazine;1-(3-Biphenylyl)piperazine;1-(3-phenylphenyl)piperazine;1-(biphenyl-3-yl)piperazine;1-(3-Biphenylyl)-piperazine;1-([1,1'-biphenyl]-3-yl)piperazine;CHEMBL2164331;MFCD06201887;1-{[1,1'-biphenyl]-3-yl}piperazine;Piperazine,1-[1,1'-biphenyl]-3-yl-;1-biphenyl-3-ylpiperazin;1-biphenyl-3-ylpiperazine;3-[1-piperazinyl]biphenyl;SCHEMBL1914606;DTXSID30373491;MHBONQZDOYFHIB-UHFFFAOYSA-N;BDBM50395190;AKOS015914205;PS-3222;CS-0199930;FT-0642819;EN300-1700295;A803481

Chemical Property of 1-Biphenyl-3-yl-piperazine

Chemical Property:

• Vapor Pressure: 1.26E-07mmHg at 25°C
• Melting Point: 69 °C
• Refractive Index: 1.581
• Boiling Point: 430.8 °C at 760 mmHg
• PKA: 8.92±0.10(Predicted)
• Flash Point: 198.4 °C
• PSA: 15.27000
• Density: 1.068 g/cm³
• LogP: 3.15700
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• 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:

97% ^*data from raw suppliers

1-Biphenyl-3-yl-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC(=C2)C3=CC=CC=C3
• Uses: 1-Biphenyl-3-yl-piperazine is used as a reactant in the preparation of aralkyl piperazine derivatives targeting serotonin reuptake inhibitory and 5-HT1A/5-HT7 receptors.

Technology Process of 1-Biphenyl-3-yl-piperazine

There total 4 articles about 1-Biphenyl-3-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: 94.7%

tert-butyl 4-([1,1‘-biphenyl]-3-yl)piperazine-1-carboxylate → 1-(3-biphenylyl)piperazine (115761-61-0)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 15 ℃; for 5h; Temperature;

DOI:10.1021/acsmedchemlett.6b00328

Reference yield:

di-isopropyl ether (108-20-3) + 3-biphenyl amine (2243-47-2) + N,N-bis(chloro-2-ethyl)amine (334-22-5) → 1-(3-biphenylyl)piperazine (115761-61-0)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate; 1,2,4-Trichlorobenzene;

Reference yield:

3-bromobiphenyl (2113-57-7) → 1-(3-biphenylyl)piperazine (115761-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; CyJohnPhos / toluene / 16 h / 100 °C / Inert atmosphere

2: hydrogenchloride / ethyl acetate / 5 h / 15 °C

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium t-butanolate; CyJohnPhos; In ethyl acetate; toluene;

DOI:10.1021/acsmedchemlett.6b00328

upstream raw materials:

di-isopropyl ether

3-biphenyl amine

N,N-bis(chloro-2-ethyl)amine

3-bromobiphenyl

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