3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole

Base Information

• Chemical Name: 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole
• CAS No.: 95399-28-3
• Molecular Formula: C16H18 N2
• Molecular Weight: 238.33
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10354460
• Nikkaji Number: J2.828.379B
• Wikidata: Q82132624
• Mol file: 95399-28-3.mol

Synonyms:3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole;95399-28-3;3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1H-indole;3-(2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl)-1H-indole;3-(2-(2,5-dimethylpyrrol-1-yl)ethyl)-1H-indole;Bionet2_001203;DTXSID10354460;HMS1367G15;MFCD02223273;STK500546;AKOS000101335;CCG-200561;CS-0316802;FT-0679266;3R-0811;SR-01000585296;SR-01000585296-1;BRD-K70846960-001-01-2

Chemical Property of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole

Chemical Property:

• Vapor Pressure: 1.39E-07mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 441.7°C at 760 mmHg
• Flash Point: 220.9°C
• PSA: 20.72000
• Density: 1.09g/cm³
• LogP: 3.82890
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 238.146998583
• Heavy Atom Count: 18
• Complexity: 268

Purity/Quality:

98%min ^*data from raw suppliers

3-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1CCC2=CNC3=CC=CC=C32)C

Technology Process of 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole

There total 4 articles about 3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-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: 97.0%

tryptamine (61-54-1) + 2,5-hexanedione (110-13-4) → 3-(2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl)-1H-indole (95399-28-3)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.0833333h; Green chemistry;

DOI:10.1039/c4gc01523a

Reference yield: 80.0%

2,5-Dimethylpyrrole (625-84-3) + tryptamine (61-54-1) → 3-(2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl)-1H-indole (95399-28-3)

Guidance literature:

With indium(III) tris[bis(trifluoromethanesulfonyl)amide]; In 1,4-dioxane; at 120 ℃; for 48h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201600656

Reference yield:

tryptamine (61-54-1) + hexane-2,5-diol (2935-44-6) → 3-(2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl)-1H-indole (95399-28-3)

Guidance literature:

With C₃₀H₂₉BrMnNO₂P₂; potassium carbonate; In neat (no solvent); at 150 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03506

upstream raw materials:

tryptamine

2,5-hexanedione

2,5-Dimethylpyrrole

1,2,5-trimethyl-1H-pyrrole

Refernces

• 1、 Hemmati, Saba,Mohammadi, Pourya,Sedrpoushan, Alireza,Maleki, Behrooz. "Synthesis of 2,5-Dimethyl-N-substituted Pyrroles Catalyzed by Diethylenetriaminepentaacetic Acid Supported on Fe3O4 Nanoparticles". . p. 465 - 481. Retrieved 2019/01/09.
• 2、 Cho, Hyejin,Madden, Richard,Nisanci, Bilal,T?r?k, Bla. "The Paal-Knorr reaction revisited. A catalyst and solvent-free synthesis of underivatized and N-substituted pyrroles". . p. 1088 - 1099. Retrieved 2015/03/04.