1-(3-(1-Indolyl)propyl)-4-methylpiperazine

Base Information

• Chemical Name: 1-(3-(1-Indolyl)propyl)-4-methylpiperazine
• CAS No.: 70752-98-6
• Molecular Formula: C16H23N3
• Molecular Weight: 257.3739
• DSSTox Substance ID: DTXSID80991008
• Nikkaji Number: J117.901B
• Wikidata: Q82980670
• ChEMBL ID: CHEMBL4095255
• Mol file: 70752-98-6.mol

Synonyms:BRN 0801145;1-(3-(1-Indolyl)propyl)-4-methylpiperazine;Piperazine, 1-(3-(1-indolyl)propyl)-1-methyl-;5-23-01-00327 (Beilstein Handbook Reference);70752-98-6;CHEMBL4095255;DTXSID80991008;LS-112722;1-[3-(1H-Indol-1-yl)propyl]-4-methylpiperazine;1-[3-(4-Methylpiperazin-1-yl)propyl]-1H-indole

Chemical Property of 1-(3-(1-Indolyl)propyl)-4-methylpiperazine

Chemical Property:

• Vapor Pressure: 7.03E-07mmHg at 25°C
• Boiling Point: 408.4°C at 760 mmHg
• Flash Point: 200.8°C
• Density: 1.08g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 257.189197746
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCCN2C=CC3=CC=CC=C32

Technology Process of 1-(3-(1-Indolyl)propyl)-4-methylpiperazine

There total 3 articles about 1-(3-(1-Indolyl)propyl)-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: 63.0%

1-methyl-piperazine (109-01-3) + 1-Chloro-3-(indol-1-yl)propane (134186-71-3) → 1-(3-(4-methylpiperazin-1-yl)propyl)-1H-indole (70752-98-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; sodium iodide; In N,N-dimethyl-formamide; at 150 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2016.12.042

Reference yield:

indole (120-72-9) → 1-(3-(4-methylpiperazin-1-yl)propyl)-1H-indole (70752-98-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 20 h / 0 - 20 °C / Inert atmosphere

1.2: 12 h / 20 °C / Inert atmosphere

2.1: N-ethyl-N,N-diisopropylamine; sodium iodide / N,N-dimethyl-formamide / 3 h / 150 °C / Inert atmosphere

With sodium hydride; N-ethyl-N,N-diisopropylamine; sodium iodide; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2016.12.042

Reference yield:

→ 1-(3-(4-methylpiperazin-1-yl)propyl)-1H-indole (70752-98-6)

Guidance literature:

Indol, entspr. Chlorid;

DOI:10.1007/BF00781047

upstream raw materials:

1-methyl-piperazine

1-Chloro-3-(indol-1-yl)propane

indole