[3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl] benzoate

Base Information

• Chemical Name: [3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl] benzoate
• CAS No.: 149848-07-7
• Molecular Formula: C₂₇H₃₀N₂O₂
• Molecular Weight: 414.547
• DSSTox Substance ID: DTXSID30933776
• Nikkaji Number: J534.847A
• Mol file: 149848-07-7.mol

Synonyms:149848-07-7;[3-(4-benzylpiperazin-1-yl)-1-phenylpropyl] benzoate;alpha-Phenyl-4-(phenylmethyl)-1-piperazinepropanol benzoate (ester);1-Piperazinepropanol, alpha-phenyl-4-(phenylmethyl)-, benzoate (ester);DTXSID30933776;BXIQIYAUMJYCLS-UHFFFAOYSA-N;LS-113381;3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl benzoate;Benzoic acid 3-(4-benzylpiperazin-1-yl)-1-phenylpropyl ester

Chemical Property of [3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl] benzoate

Chemical Property:

• Vapor Pressure: 2.66E-12mmHg at 25°C
• Boiling Point: 553.7°Cat760mmHg
• Flash Point: 288.7°C
• PSA: 32.78000
• Density: 1.136g/cm³
• LogP: 4.66840
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 414.230728204
• Heavy Atom Count: 31
• Complexity: 513

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Technology Process of [3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl] benzoate

There total 1 articles about [3-(4-Benzylpiperazin-1-yl)-1-phenylpropyl] benzoate 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: 96.0%

γ-(4-benzyl piperazin-1-yl)-α-phenyl propanol (41465-66-1) + benzoyl chloride (98-88-4) → γ-(4-benzyl piperazin-1-yl)-α-phenyl propanol benzoate (149848-07-7)

Guidance literature:

With ammonium; sodium carbonate; In chloroform; for 3.83333h;

upstream raw materials:

γ-(4-benzyl piperazin-1-yl)-α-phenyl propanol

benzoyl chloride

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