2-(1-Benzyl-1H-indol-3-YL)-ethylamine

Base Information

• Chemical Name: 2-(1-Benzyl-1H-indol-3-YL)-ethylamine
• CAS No.: 4307-98-6
• Molecular Formula: C17H18N2
• Molecular Weight: 250.343
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10395792
• Nikkaji Number: J759.174H
• Wikidata: Q82196086
• ChEMBL ID: CHEMBL3747843
• Mol file: 4307-98-6.mol

Synonyms:4307-98-6;2-(1-BENZYL-1H-INDOL-3-YL)-ETHYLAMINE;2-(1-benzylindol-3-yl)ethanamine;2-(1-benzyl-1H-indol-3-yl)ethanamine;2-(1-BENZYL-1H-INDOL-3-YL)ETHAN-1-AMINE;2-(1-benzyl-1h-indol-3-yl)ethylamine;1-benzyltryptamine;1H-Indole-3-ethanamine, 1-(phenylmethyl)-;Oprea1_241674;SCHEMBL4731450;CHEMBL3747843;DTXSID10395792;1-Benzyl-1H-indole-3-ethaneamine;BBL036340;STK367794;AKOS005445205;MB06199;FT-0750963

Chemical Property of 2-(1-Benzyl-1H-indol-3-YL)-ethylamine

Chemical Property:

• Vapor Pressure: 3E-08mmHg at 25°C
• Boiling Point: 448.9°C at 760 mmHg
• Flash Point: 225.3°C
• PSA: 30.95000
• Density: 1.09g/cm³
• LogP: 3.89110
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 250.146998583
• Heavy Atom Count: 19
• Complexity: 272

Purity/Quality:

98%min ^*data from raw suppliers

2-(1-Benzyl-1H-indol-3-yl)-ethylamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCN

Technology Process of 2-(1-Benzyl-1H-indol-3-YL)-ethylamine

There total 19 articles about 2-(1-Benzyl-1H-indol-3-YL)-ethylamine 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%

2-(1-benzyl-1H-indol-3-yl)acetonitrile (59414-85-6) → N-benzyltryptamine (4307-98-6)

Guidance literature:

With hydrogen; rhodium on alumina; In tetrahydrofuran; for 48h; under 2068.6 Torr;

DOI:10.1016/S0040-4020(01)87781-4

Reference yield: 95.0%

2-(2-(1-benzyl-1H-indol-3-yl)ethyl)isoindoline-1,3-dione (874916-37-7) → N-benzyltryptamine (4307-98-6)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

DOI:10.1021/ol0526367

Reference yield: 75.0%

tryptamine (61-54-1) + benzyl bromide (100-39-0) → N-benzyltryptamine (4307-98-6)

Guidance literature:

tryptamine; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

benzyl bromide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

DOI:10.1039/c9cc05667j

upstream raw materials:

4-aminobutyrylaldehyde diethylacetal

N-benzyl-N-phenylhydrazine

2-(1-benzyl-1H-indol-3-yl)acetonitrile

(E)-1-benzyl-3-(2-nitrovinyl)-1H-indole

Downstream raw materials:

N¹-benzyl-N^ω-acetyltryptamine

9-benzyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

2-Methyl-5-oxo-hexanoic acid [2-(1-benzyl-1H-indol-3-yl)-ethyl]-amide

1-benzyl-N-formyltryptamine