2-(1H-indol-3-yl)-2-methylpropan-1-amine

Base Information

• Chemical Name: 2-(1H-indol-3-yl)-2-methylpropan-1-amine
• CAS No.: 15467-31-9
• Molecular Formula: C12H16 N2
• Molecular Weight: 188.272
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50165698
• Wikidata: Q72442181
• Mol file: 15467-31-9.mol

Synonyms:2-(1H-indol-3-yl)-2-methylpropan-1-amine;15467-31-9;beta,beta-Dimethyltryptamine;BRN 0144402;INDOLE, 3-(2-AMINO-1,1-DIMETHYLETHYL)-;1H-Indole-3-ethanamine, beta,beta-dimethyl-;SCHEMBL273916;DTXSID50165698;MFCD01719236;AKOS005145969;SB15070;2-(1H-indol-3-yl)-2-methylpropylamine;DS-11601;LS-82266;CS-0183493;FT-0747336;H10990;[2-(1H-indol-3-yl)-2-methylprop-1-yl]amine;EN300-1838655

Chemical Property of 2-(1H-indol-3-yl)-2-methylpropan-1-amine

Chemical Property:

• Vapor Pressure: 5.45E-05mmHg at 25°C
• Boiling Point: 347.3°Cat760mmHg
• Flash Point: 190.7°C
• PSA: 41.81000
• Density: 1.093g/cm³
• LogP: 3.10450
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.131348519
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-Indol-3-yl)-2-methylpropan-1-amine 95%-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CN)C1=CNC2=CC=CC=C21

Technology Process of 2-(1H-indol-3-yl)-2-methylpropan-1-amine

There total 5 articles about 2-(1H-indol-3-yl)-2-methylpropan-1-amine 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: 86.0%

2-(1H-indol-3-yl)-2-methylpropanenitrile (23078-29-7) → 2-(1H-indol-3-yl)-2-methylpropane-1-amine (15467-31-9)

Guidance literature:

With hydrogen; In tetrahydrofuran; methanol; at 25 ℃; for 72h; under 16501.7 Torr;

Reference yield:

3-(2-cyanopropane-2-yl)-1H-indol-1-carboxylic acid tert-butyl ester (380626-46-0) → 2-(1H-indol-3-yl)-2-methylpropane-1-amine (15467-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1: water / 1,4-dioxane / 14 h / 110 °C

2: hydrogen / tetrahydrofuran; methanol / 72 h / 25 °C / 16501.7 Torr

With water; hydrogen; In tetrahydrofuran; 1,4-dioxane; methanol;

Reference yield:

2-indol-3-yl-2-methyl-propionamide → 2-(1H-indol-3-yl)-2-methylpropane-1-amine (15467-31-9)

Guidance literature:

With lithium aluminium tetrahydride;

upstream raw materials:

2-indol-3-yl-2-methyl-propionic acid

2-(1H-indol-3-yl)-2-methylpropanenitrile

3-(2-cyanopropane-2-yl)-1H-indol-1-carboxylic acid tert-butyl ester

Downstream raw materials:

isopropyl 1,1-dimethyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylate

ethyl 1,1-dimethyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylate