2-(1H-indol-2-yl)ethanamine

Base Information

• Chemical Name: 2-(1H-indol-2-yl)ethanamine
• CAS No.: 496-42-4
• Molecular Formula: C10H12 N2
• Molecular Weight: 160.219
• Hs Code.: 2933990090
• European Community (EC) Number: 877-855-9
• DSSTox Substance ID: DTXSID10331438
• Nikkaji Number: J79.634D
• Wikidata: Q72436806
• Metabolomics Workbench ID: 68564
• ChEMBL ID: CHEMBL4517417
• Mol file: 496-42-4.mol

Synonyms:2-(1H-indol-2-yl)ethanamine;496-42-4;2-(1H-Indol-2-yl)-ethylamine;1H-Indole-2-ethanamine;2-(2-Aminoethyl)indole;2-(1H-indol-2-yl)ethan-1-amine;C02548;indolethylamine;2-(2-aminoethyl) indole;SureCN653530;2-(indol-2-yl)ethylamine;SCHEMBL653530;CHEMBL4517417;DTXSID10331438;MFCD05181726;STK939933;AKOS006281926;SB37350;DS-16758;CS-0035427;FT-0698474;EN300-87836;F13295;A827779;Z1198165410

Chemical Property of 2-(1H-indol-2-yl)ethanamine

Chemical Property:

• Vapor Pressure: 7.51E-05mmHg at 25°C
• Melting Point: 100-101 °C
• Boiling Point: 342.5°Cat760mmHg
• PKA: 17.36±0.30(Predicted)
• Flash Point: 187.7°C
• PSA: 41.81000
• Density: 1.157g/cm³
• LogP: 2.36940
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.100048391
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-indol-2-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(N2)CCN

Technology Process of 2-(1H-indol-2-yl)ethanamine

There total 17 articles about 2-(1H-indol-2-yl)ethanamine 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: 84.0%

2-(2-azidoethyl)-1H-indole (161957-64-8) → 1H-indole-2-ethanamine (496-42-4)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/0040-4039(94)02399-V

Reference yield: 79.0%

2-((E)-2-nitroethenyl)-1H-indole (14255-18-6) → 1H-indole-2-ethanamine (496-42-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201802478

Reference yield: 74.0%

(E)-2-nitrovinyl-1H-indole → 1H-indole-2-ethanamine (496-42-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 3.5h;

DOI:10.1002/ejoc.201403469

upstream raw materials:

2-indoleacetonitrile

2-(2-azidoethyl)-1H-indole

indol-2-ylmethyl-trimethyl-ammonium; iodide

2-(2-nitrovinyl)-1H-indole

Downstream raw materials:

1-[2-(1H-Indol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-urea

1-[2-(1H-Indol-2-yl)-ethyl]-3-phenyl-urea

1-[2-(1H-Indol-2-yl)-ethyl]-3-p-tolyl-urea

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