1-(1H-indol-3-yl)isoquinoline

Base Information

• Chemical Name: 1-(1H-indol-3-yl)isoquinoline
• CAS No.: 13708-33-3
• Molecular Formula: C17H12N2
• DSSTox Substance ID: DTXSID70356788
• Wikidata: Q82136361
• Mol file: 13708-33-3.mol

Synonyms:1-(1H-indol-3-yl)isoquinoline;13708-33-3;Isoquinoline, 1-(1H-indol-3-yl)-;1-(3-indolyl)isoquinoline;SCHEMBL8704484;DTXSID70356788;SR-01000312614;SR-01000312614-1

Chemical Property of 1-(1H-indol-3-yl)isoquinoline

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 244.100048391
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN=C2C3=CNC4=CC=CC=C43

Technology Process of 1-(1H-indol-3-yl)isoquinoline

There total 1 articles about 1-(1H-indol-3-yl)isoquinoline 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: 40.0%

1-(3-indolyl)-2-phenylsulfonylbenzimidoylisoquinolinium perchlorate + aniline (62-53-3) → N1-phenyl-N2-(phenylsulfonyl)benzamidine (14067-87-9) + 1-(1H-indol-3-yl)isoquinoline (13708-33-3)

Guidance literature:

In acetonitrile; for 1.5h; Heating;

DOI:10.1007/BF00506106

Reference yield:

1-(1H-indol-3-yl)isoquinoline (13708-33-3) → 1-(2-Diphenylphosphanyl-1-methyl-1H-indol-3-yl)-isoquinoline

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / NaH / tetrahydrofuran / 4 h / 0 °C

2: 85 percent / n-BuLi, t-BuOK / tetrahydrofuran; pentane

With n-butyllithium; potassium tert-butylate; sodium hydride; In tetrahydrofuran; pentane;

DOI:10.1016/S0040-4020(97)00016-1

upstream raw materials:

aniline