1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine

Base Information

• Chemical Name: 1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
• CAS No.: 150208-29-0
• Molecular Formula: C₁₅H₂₂Cl₂N₂
• Molecular Weight: 301.259
• DSSTox Substance ID: DTXSID901226476
• Nikkaji Number: J489.272K
• Pharos Ligand ID: X3AFF3P9WH2S
• ChEMBL ID: CHEMBL70807
• Mol file: 150208-29-0.mol

Synonyms:1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine;CHEMBL70807;SCHEMBL7528803;DTXSID901226476;BDBM50000776;Piperazine, 1-[2-[4,5-dichlorophenylethyl]-4-propyl;1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-propyl-piperazine;1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine #;150208-29-0

Chemical Property of 1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 300.1160041
• Heavy Atom Count: 19
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl

Technology Process of 1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine

There total 4 articles about 1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine 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: 100.0%

1-<(3,4-dichlorophenyl)acetyl>-4-(1-propyl)piperazine (150208-58-5) → 1-<2-(3,4-dichlorophenyl)-1-ethyl>-4-(1-propyl)piperazine (150208-29-0)

Guidance literature:

With aluminium hydride; In tetrahydrofuran; for 0.333333h; Ambient temperature;

DOI:10.1021/jm00090a012

Reference yield:

3,4-dichlorophenyl acetic acid (5807-30-7) → 1-<2-(3,4-dichlorophenyl)-1-ethyl>-4-(1-propyl)piperazine (150208-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) DCC / 1.) CH₂Cl₂, RT, 10 min, 2.) CH₂Cl₂

2: AlH₃ / tetrahydrofuran / 20 h / Ambient temperature

With aluminium hydride; dicyclohexyl-carbodiimide; In tetrahydrofuran;

DOI:10.1021/jm00068a007

Reference yield:

1-n-propylpiperazine (21867-64-1) → 1-<2-(3,4-dichlorophenyl)-1-ethyl>-4-(1-propyl)piperazine (150208-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) DCC / 1.) CH₂Cl₂, RT, 10 min, 2.) CH₂Cl₂

2: AlH₃ / tetrahydrofuran / 20 h / Ambient temperature

With aluminium hydride; dicyclohexyl-carbodiimide; In tetrahydrofuran;

DOI:10.1021/jm00068a007

upstream raw materials:

1-<(3,4-dichlorophenyl)acetyl>-4-(1-propyl)piperazine

1-n-propylpiperazine

3,4-dichlorophenyl acetic acid

1-n-propylpiperazine dihydrobromide

Refernces

• 1、 Costa, Brian de,Radesca, Lilian,Dominguez, Celia,Paolo, Lisa Di,Bowen, Wayne D.. "Synthesis and Receptor Binding Properties of Fluoro- and Iodo-Substituted High Affinity ? Receptor Ligands: Identification of Potential PET and SPECT ? Receptor Imaging Agents". . p. 2221 - 2230. Retrieved 2007/10/02.