1-Benzyl-2-phenylpiperazine

Base Information

• Chemical Name: 1-Benzyl-2-phenylpiperazine
• CAS No.: 5368-33-2
• Molecular Formula: C17H20N2
• Molecular Weight: 252.359
• Hs Code.: 2933599090
• European Community (EC) Number: 860-451-1
• NSC Number: 70400
• DSSTox Substance ID: DTXSID901292433
• Nikkaji Number: J2.940.393G
• Mol file: 5368-33-2.mol

Synonyms:1-Benzyl-2-phenylpiperazine;5368-33-2;N-1-Benzyl-2-phenylpiperazine;Piperazine, 1-benzyl-2-phenyl-;NSC 70400;1-N-Benzyl-2-phenylpiperazine;BRN 0916884;Piperazine, 2-phenyl-1-(phenylmethyl)-;5-23-06-00082 (Beilstein Handbook Reference);NSC70400;2-Phenyl-1-(phenylmethyl)piperazine;2-Phenyl-1-benzylpiperazine;SCHEMBL1579802;DTXSID901292433;MFCD01703950;NSC-70400;AKOS005255365;BS-49465;LS-110375;CS-0161809;FT-0711312;n-1-benzyl-2-phenyl-piperazine, AldrichCPR;F53496;EN300-3250462;A829731

Chemical Property of 1-Benzyl-2-phenylpiperazine

Chemical Property:

• Vapor Pressure: 4.81E-13mmHg at 25°C
• Refractive Index: 1.653
• Boiling Point: 382.4 °C at 760 mmHg
• Flash Point: 153.2 °C
• PSA: 15.27000
• Density: 1.069 g/cm³
• LogP: 3.09980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 252.162648646
• Heavy Atom Count: 19
• Complexity: 254

Purity/Quality:

98% ^*data from raw suppliers

N-1-Benzyl-2-phenylpiperazine >96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(CN1)C2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of 1-Benzyl-2-phenylpiperazine

There total 7 articles about 1-Benzyl-2-phenylpiperazine 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%

1-benzyl-6-phenyl-piperazine-2,5-dione (1279816-48-6) → 1-benzyl-2-phenyl-piperazine (5368-33-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2011.02.011

Reference yield:

4-benzyl-3-phenyl-piperazine-1-carboxylic acid tert-butyl ester (1203590-31-1) → 1-benzyl-2-phenyl-piperazine (5368-33-2)

Guidance literature:

With hydrochloric acid diethyl ether; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113838

Reference yield:

tert-butyl 4-(3-methoxy-4-(1H-pyrazol-4-yl)benzoyl)-3-phenylpiperazine-1-carboxylate (502649-25-4) → 1-benzyl-2-phenyl-piperazine (5368-33-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 6 h / 20 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: hydrochloric acid diethyl ether / methanol / 20 °C / Inert atmosphere

With hydrochloric acid diethyl ether; In tetrahydrofuran; methanol;

DOI:10.1016/j.ejmech.2021.113838

upstream raw materials:

([benzyl-(tert-butylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl)-carbamic acid tert-butyl ester

1-benzyl-6-phenyl-piperazine-2,5-dione

benzaldehyde

benzylamine

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