3-(Piperazin-1-ylmethyl)-1H-indole

Base Information

• Chemical Name: 3-(Piperazin-1-ylmethyl)-1H-indole
• CAS No.: 114746-66-6
• Molecular Formula: C₁₃H₁₇N₃
• Molecular Weight: 215.298
• Hs Code.: 2933990090
• Mol file: 114746-66-6.mol

Synonyms:3-[(Piperazin-1-yl)methyl]-1H-indole;1H-Indole, 3-(1-piperazinylmethyl)-;3-(1-Piperazinylmethyl)-1H-indole;

Chemical Property of 3-(Piperazin-1-ylmethyl)-1H-indole

Chemical Property:

• Vapor Pressure: 1.79E-06mmHg at 25°C
• Refractive Index: 1.644
• Boiling Point: 395.8 °C at 760 mmHg
• PKA: 17.47±0.30(Predicted)
• Flash Point: 193.2 °C
• PSA: 31.06000
• Density: 1.168 g/cm³
• LogP: 1.83980
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Piperazin-1-ylmethyl)-1H-indole hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(Piperazin-1-ylmethyl)-1H-indole

There total 5 articles about 3-(Piperazin-1-ylmethyl)-1H-indole 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%

piperazine (110-85-0) + 3-(Dimethylaminomethyl)indole (87-52-5) → N-piperazinyl-3-indolylmethylamine (114746-66-6)

Guidance literature:

In toluene; Reflux;

DOI:10.1080/10286020.2017.1323885

Reference yield:

1-tert-butoxycarbonyl-3-formylindole (57476-50-3) → N-piperazinyl-3-indolylmethylamine (114746-66-6)

Guidance literature:

1-tert-butoxycarbonyl-3-formylindole; carboxylated Wang polymer attached with piperazine; With trimethyl orthoformate; for 1h;

With sodium cyanoborohydride; acetic acid; for 0.166667h;

With chlorotriisopropylsilane; ethane-1,2-dithiol; trifluoroacetic acid; In water; for 2h;

DOI:10.1016/S0960-894X(02)00088-4

Reference yield:

indole (120-72-9) → N-piperazinyl-3-indolylmethylamine (114746-66-6)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate

2: sodium tris(acetoxy)borohydride; acetic acid / dichloromethane

With sodium tris(acetoxy)borohydride; acetic acid; trichlorophosphate; In dichloromethane;

DOI:10.5012/bkcs.2011.32.1.307

upstream raw materials:

1-tert-butoxycarbonyl-3-formylindole

piperazine

Indole-3-carboxaldehyde

indole

Downstream raw materials:

C₂₅H₂₈F₂N₆O

Refernces

• 1、 Yin, Xiu-Juan,Huang, Xiao-Yan,Ma, Yun-Bao,Geng, Chang-An,Li, Tian-Ze,Chen, Xing-Long,Yang, Tong-Hua,Zhou, Jun,Zhang, Xue-Mei,Chen, Ji-Jun. "Bioactivity-guided synthesis of gramine derivatives as new MT1 and 5-HT1A receptors agonists". . p. 610 - 622. Retrieved 2017.
• 2、 -. "N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM". Page 52. . Retrieved 2010/02/07.