4-(2-Di-N-propylaminoethyl)indole

Base Information

• Chemical Name: 4-(2-Di-N-propylaminoethyl)indole
• CAS No.: 76149-15-0
• Molecular Formula: C16H24 N2
• Molecular Weight: 244.38
• Hs Code.: 2933990090
• European Community (EC) Number: 825-247-9
• DSSTox Substance ID: DTXSID10227004
• Nikkaji Number: J423.569J
• Wikidata: Q83106601
• ChEMBL ID: CHEMBL67040
• Mol file: 76149-15-0.mol

Synonyms:4-(2-di-N-propylaminoethyl)indole;4-(2-di-N-propylaminoethyl)indole, butenedioate salt, (E)-isomer;4-DPAEI;DPAI

Chemical Property of 4-(2-Di-N-propylaminoethyl)indole

Chemical Property:

• Vapor Pressure: 3.3E-06mmHg at 25°C
• Boiling Point: 387.4°C at 760 mmHg
• Flash Point: 188.1°C
• PSA: 19.03000
• Density: 1.014g/cm³
• LogP: 3.83240
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 244.193948774
• Heavy Atom Count: 18
• Complexity: 223

Purity/Quality:

> 95% ^*data from raw suppliers

Desoxo-2-ene Ropinirole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)CCC1=C2C=CNC2=CC=C1
• Uses: Desoxo-2-ene Ropinirole has shown little to not effect on postsynaptic dopamine receptors, however its derivatives are dopamine agonists.

Technology Process of 4-(2-Di-N-propylaminoethyl)indole

There total 23 articles about 4-(2-Di-N-propylaminoethyl)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: 96.0%

tert-butyl 4-(2-(dipropylamino)ethyl)-2-hydroxyindoline-1-carboxylate → 4-<2-(N,N-di-n-propylamino)ethyl>indole (76149-15-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1039/c5ob01739d

Reference yield: 85.0%

2-(1H-indol-4-yl)ethan-1-amine (16176-73-1) + propionic acid (802294-64-0,79-09-4) → 4-<2-(N,N-di-n-propylamino)ethyl>indole (76149-15-0)

Guidance literature:

2-(1H-indol-4-yl)ethan-1-amine; propionic acid; With sodium tetrahydroborate; at 55 - 60 ℃; for 20h;

With sodium hydroxide; In water; at 20 ℃;

Reference yield: 85.0%

2-(1H-indol-4-yl)ethan-1-amine (16176-73-1) + 1-iodo-propane (107-08-4) → 4-<2-(N,N-di-n-propylamino)ethyl>indole (76149-15-0)

Guidance literature:

With sodium hydrogencarbonate; In water; toluene; for 27h; Reflux;

DOI:10.1002/ejoc.201701807

upstream raw materials:

indole-4-acetic acid N,N-di-n-propylamide

2-(1H-indol-4-yl)acetic acid

di-n-propylamine

1H-indole-4-carboxylic acid

Downstream raw materials:

Ropinirole