2-(1H-Indol-1-yl)aniline

Base Information

• Chemical Name: 2-(1H-Indol-1-yl)aniline
• CAS No.: 473918-48-8
• Molecular Formula: C14H12N2
• Molecular Weight: 208.263
• ChEMBL ID: CHEMBL206879
• DSSTox Substance ID: DTXSID90467845
• Nikkaji Number: J1.822.979J
• Wikidata: Q82294920
• Mol file: 473918-48-8.mol

Synonyms:2-(1H-Indol-1-yl)aniline;473918-48-8;2-indol-1-ylaniline;1-(2-Aminophenyl)indole;2-(indol-1-yl)aniline;N-(2-Aminophenyl)indole;SCHEMBL983397;CHEMBL206879;DTXSID90467845;HMPYMEWXRJVKLL-UHFFFAOYSA-N;AKOS022188821

Chemical Property of 2-(1H-Indol-1-yl)aniline

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

95+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN2C3=CC=CC=C3N

Technology Process of 2-(1H-Indol-1-yl)aniline

There total 13 articles about 2-(1H-Indol-1-yl)aniline 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: 95.0%

1-(2-nitrophenyl)-1H-indole (25688-25-9) → N-(2-aminophenyl)indole (473918-48-8)

Guidance literature:

With sodium tetrahydroborate; copper(ll) sulfate pentahydrate; In ethanol; at 0 - 20 ℃; for 1h;

DOI:10.1055/s-0037-1610131

Reference yield: 90.0%

indole (120-72-9) + 2-iodophenylamine (615-43-0) → N-(2-aminophenyl)indole (473918-48-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; cis-N,N'-dimethyl-1,2-diaminocyclohexane; In toluene; at 80 ℃; for 24h;

DOI:10.1021/ja027433h

Reference yield: 79.0%

indole (120-72-9) + 2-bromoaniline (615-36-1) → N-(2-aminophenyl)indole (473918-48-8)

Guidance literature:

With PEG-400; potassium carbonate; ethylenediamine; copper(l) iodide; at 80 ℃; for 24h;

DOI:10.1055/s-2006-926328

upstream raw materials:

indole

2-iodophenylamine

2-bromoaniline

(1S,2S)-N,N'-dimethyl-1,2-diaminocyclohexane

Downstream raw materials:

6-(4-nitrophenyl)indolo[1,2-a]quinoxaline

6-phenylindolo[1,2-a]quinoxaline

6-(4-bromophenyl)indolo[1,2-a]quinoxaline

N-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)dimethylamine