Indole, 3-((diethylamino)methyl)-

Base Information

• Chemical Name: Indole, 3-((diethylamino)methyl)-
• CAS No.: 46397-90-4
• Molecular Formula: C13H18N2
• Molecular Weight: 202.299
• NSC Number: 331211
• DSSTox Substance ID: DTXSID10196827
• Nikkaji Number: J411.666F
• Wikidata: Q83069839
• ChEMBL ID: CHEMBL1359979
• Mol file: 46397-90-4.mol

Synonyms:INDOLE, 3-((DIETHYLAMINO)METHYL)-;46397-90-4;N-Ethyl-N-(1H-indol-3-ylmethyl)ethanamine;3-((Diethylamino)methyl)indole;BRN 0160404;1H-Indole-3-methanamine, N,N-diethyl-;N-((1H-Indol-3-yl)methyl)-N-ethylethanamine;5-22-10-00026 (Beilstein Handbook Reference);NSC331211;Cambridge id 5236785;Oprea1_182998;Oprea1_424489;CBDivE_008530;MLS000104622;SCHEMBL1027348;CHEMBL1359979;DTXSID10196827;HMS1678C20;HMS2291C09;STK043980;diethyl[(1H-indol-3-yl)methyl]amine;N,N-Diethyl-1H-indole-3-methanamine;AKOS000631388;3-(N,N-diethylaminomethyl)-1h-indole;NSC 331211;NSC-331211;LS-82879;SMR000054555;DIETHYL(1H-INDOL-3-YLMETHYL)AMINE

Chemical Property of Indole, 3-((diethylamino)methyl)-

Chemical Property:

• Vapor Pressure: 0.000245mmHg at 25°C
• Boiling Point: 324.5°Cat760mmHg
• Flash Point: 150°C
• Density: 1.056g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC1=CNC2=CC=CC=C21

Technology Process of Indole, 3-((diethylamino)methyl)-

There total 1 articles about Indole, 3-((diethylamino)methyl)- 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:

N-((1H-indol-1-yl)methyl)-N-ethylethanamine (83234-91-7) → indole (120-72-9) + N-[(1H-indol-3-yl)methyl]-N-ethylethanamine (46397-90-4) + 1,3-[di(N,N-diethylamino)methyl]indole (1228023-75-3)

Guidance literature:

With hafnium tetrakis(trifluoromethanesulfonate); In dichloromethane-d2; at 20 ℃; for 6h; regioselective reaction;

DOI:10.1021/jo1006043

Reference yield: 67.0%

potassium cyanide + N-[(1H-indol-3-yl)methyl]-N-ethylethanamine (46397-90-4) → indole-3-acetonitrile (771-51-7)

Guidance literature:

With methyl iodide; In methanol; water; at 20 ℃; for 16h;

DOI:10.1016/j.tet.2011.04.077

Reference yield: 51.0%

N-[(1H-indol-3-yl)methyl]-N-ethylethanamine (46397-90-4) → Indole-3-carboxaldehyde (487-89-8,1228547-52-1)

Guidance literature:

N-[(1H-indol-3-yl)methyl]-N-ethylethanamine; With iodine; sodium carbonate; In 1,4-dioxane; at 20 ℃; for 12h;

With water; In 1,4-dioxane; for 3h;

DOI:10.1039/d0nj05832g

upstream raw materials:

N-((1H-indol-1-yl)methyl)-N-ethylethanamine

Downstream raw materials:

ethyl 2-formamido-3-(3-indolyl)-2-carbethoxypropionate

3-(benzoylaminomethyl)indole

indole-3-acetic acid

n-formyl-tryptophan

Refernces