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

Base Information

• Chemical Name: 1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine
• CAS No.: 150208-28-9
• Molecular Formula: C₁₃H₁₈Cl₂N₂
• Molecular Weight: 273.205
• DSSTox Substance ID: DTXSID70341674
• Nikkaji Number: J556.436K
• Wikipedia: BD1063
• Wikidata: Q4835358
• Pharos Ligand ID: 2QN5BJAK53DM
• ChEMBL ID: CHEMBL73824
• Mol file: 150208-28-9.mol

Synonyms:1-(2-(3,4-dichlorophenyl)ethyl)-4-methylpiperazine;BD 1063;BD-1063

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

Chemical Property:

• Vapor Pressure: 3.59E-05mmHg at 25°C
• Boiling Point: 353.4 °C at 760 mmHg
• Flash Point: 167.5 °C
• PSA: 6.48000
• LogP: 4.26310
• Storage Temp.: Store at RT
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 272.0847040
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

BD 1063 dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl
• Uses: The novel σ receptor ligands

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

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

1-(3,4-dichlorophenylacetyl)-4-methylpiperazine → 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine (150208-28-9)

Guidance literature:

With aluminium hydride; In tetrahydrofuran; for 20h; Ambient temperature;

DOI:10.1021/jm00068a007

Reference yield:

1-methyl-piperazine (109-01-3) → 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine (150208-28-9)

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:

3,4-dichlorophenyl acetic acid (5807-30-7) → 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine (150208-28-9)

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-methyl-piperazine

3,4-dichlorophenyl acetic acid

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