4-(1-Piperazinyl)-1H-indole

Base Information

• Chemical Name: 4-(1-Piperazinyl)-1H-indole
• CAS No.: 84807-09-0
• Molecular Formula: C12H15 N3
• Molecular Weight: 201.271
• Hs Code.: 2933990090
• European Community (EC) Number: 821-330-9
• DSSTox Substance ID: DTXSID30233864
• Nikkaji Number: J2.249.327B
• Wikidata: Q27467533
• Pharos Ligand ID: DJL6V761RL3P
• ChEMBL ID: CHEMBL200234
• Mol file: 84807-09-0.mol

Synonyms:4-(piperazin-1-yl)-1H-indole

Chemical Property of 4-(1-Piperazinyl)-1H-indole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 204-206oC
• Boiling Point: 421.5 °C at 760 mmHg
• PKA: 18.78±0.30(Predicted)
• Flash Point: 208.7 °C
• PSA: 31.06000
• Density: 1.182 g/cm³
• LogP: 1.97130
• Storage Temp.: -20°C Freezer
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

4-(1-Piperazinyl)-1H-indoleDihydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3
• Uses: 4-(1-Piperazinyl)-1H-indole Dihydrochloride (cas# 84807-09-0) is a compound useful in organic synthesis.

Technology Process of 4-(1-Piperazinyl)-1H-indole

There total 8 articles about 4-(1-Piperazinyl)-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: 90.8%

4-amino-1H-indole (5192-23-4) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → 4-(1-piperazinyl)-1H-indole (84807-09-0)

Guidance literature:

With potassium carbonate; In isopropyl alcohol; at 90 ℃; for 48h;

Reference yield: 90.8%

4-amino-1H-indole (5192-23-4) + bis-(2-chloroethyl)amine hydrochloride → 4-(1-piperazinyl)-1H-indole (84807-09-0)

Guidance literature:

With potassium carbonate; In isopropyl alcohol; at 90 ℃; for 48h;

Reference yield: 81.0%

4-(1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester (252978-89-5) → 4-(1-piperazinyl)-1H-indole (84807-09-0)

Guidance literature:

In various solvent(s); at 150 ℃; for 2h; microwave irradiation;

DOI:10.1080/00397910802238718

upstream raw materials:

4-(1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

4-amino-1H-indole

bis-(2-chloroethyl)amine hydrochloride

N-(tert-butyl)-2-iodoaniline

Downstream raw materials:

4-(1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

4-(1H-indol-4-yl)-N-phenylpiperazine-1-carboxamide

Refernces

• 1、 Zhang, Bo-Sheng,Li, Yuke,Zhang, Zhe,An, Yang,Wen, Yu-Hua,Gou, Xue-Ya,Quan, Si-Qi,Wang, Xin-Gang,Liang, Yong-Min. "Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy". . . Retrieved 2019/06/24.
• 2、 -. "AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF". Paragraph 00190. . Retrieved 2016/01/25.