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

Base Information

• Chemical Name: 2-(1H-indol-3-yl)propan-1-amine
• CAS No.: 4765-22-4
• Molecular Formula: C11H14N2
• Molecular Weight: 174.2423
• DSSTox Substance ID: DTXSID70963895
• Nikkaji Number: J549.286F
• Pharos Ligand ID: 5TW7GHLVPLVS
• ChEMBL ID: CHEMBL148463
• Mol file: 4765-22-4.mol

Synonyms:2-(1H-indol-3-yl)propan-1-amine;beta-methyltryptamine

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

Chemical Property:

• Vapor Pressure: 0.000105mmHg at 25°C
• Boiling Point: 337.4°Cat760mmHg
• Flash Point: 184.4°C
• PSA: 41.81000
• Density: 1.119g/cm³
• LogP: 2.93040
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

98%+ ^*data from raw suppliers

b-methyl-1H-Indole-3-ethanamine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 13 articles about 2-(1H-indol-3-yl)propan-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: 99.0%

3-(1-methyl-2-nitroethyl)-1H-indole → 3-(2-amino-1-methylethyl)indole (4765-22-4)

Guidance literature:

With sodium hypophosphite monohydrate; 5%-palladium/activated carbon; hypophosphorous acid; In 2-methyltetrahydrofuran; water; for 7h; Solvent; Reagent/catalyst; Time; Concentration; chemoselective reaction; Sonication;

DOI:10.1039/c3gc37024k

Reference yield: 82.0%

2-(1H-indol-3-yl)propanenitrile (20862-85-5) → 3-(2-amino-1-methylethyl)indole (4765-22-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

Reference yield:

4-nitrobenzyl (2-(1H-indol-3-yl)propyl)carbamate → 3-(2-amino-1-methylethyl)indole (4765-22-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.tet.2016.03.031

upstream raw materials:

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

3-(2-amino-1-methyl-methyl)-indole-1-carboxylic acid tert-butyl ester

3-(2-nitroethenyl)-1H-indole

2-[1-(benzenesulfonyl)indol-3-yl]acetonitrile

Downstream raw materials:

N-(1-(1H-indol-3-yl)propan-2-yl)-4-((dimethylamino)(phenyl)methyl)-cyclohexanamine hydrochloride

(3aS,4S,6R,6aR)-6-(6-{2-[1-(2,5-Dimethyl-benzyl)-1H-indol-3-yl]-propylamino}-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid cyclopropylamide

2-<1-(2,5-dimethylbenzyl)indol-3-yl>propylamine

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