3-(1H-Indol-1-YL)propan-1-amine

Base Information

• Chemical Name: 3-(1H-Indol-1-YL)propan-1-amine
• CAS No.: 46170-17-6
• Molecular Formula: C11H15N2+
• Molecular Weight: 174.246
• Hs Code.: 2933990090
• European Community (EC) Number: 827-779-7
• Mol file: 46170-17-6.mol

Synonyms:3-(1H-INDOL-1-YL)PROPAN-1-AMINE;46170-17-6;3-indol-1-ylpropan-1-amine;3-(1H-INDOL-1-YL)PROPAN-1-AMINEHYDROCHLORIDE;1-(3-aminopropyl)indole;1H-Indole-1-propanamine;SCHEMBL135070;BBL034938;STL426071;AKOS005362631;VS-12765;CS-0246623;EN300-33454;F2113-0538

Chemical Property of 3-(1H-Indol-1-YL)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.00026mmHg at 25°C
• Boiling Point: 323.6°Cat760mmHg
• Flash Point: 149.5°C
• PSA: 30.95000
• Density: g/cm³
• LogP: 2.69040
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Aminopropyl)indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN2CCCN
• Uses: 1-(3-Aminopropyl)indole, is a building block used in various chemical synthesis such as in the synthesis of 1-hydroxymethylbenzotriazole.

Technology Process of 3-(1H-Indol-1-YL)propan-1-amine

There total 2 articles about 3-(1H-Indol-1-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:

3-(1H-indol-1-yl)propanenitrile (4414-79-3) → 3-(1H-indol-1-yl)propan-1-amine (46170-17-6) + 3-(1H-indol-1-yl)-N,N-dimethylaminopropan-1-amine (20892-46-0)

Guidance literature:

With nickel; dimethyl amine; benzene; under 44130.5 Torr; Hydrogenation;

Reference yield:

3-(1H-indol-1-yl)propanenitrile (4414-79-3) + dimethyl amine (124-40-3) → 3-(1H-indol-1-yl)propan-1-amine (46170-17-6) + 3-(1H-indol-1-yl)-N,N-dimethylaminopropan-1-amine (20892-46-0)

Guidance literature:

With nickel; benzene; under 44130.5 Torr;

Reference yield: 27.0%

3-(1H-indol-1-yl)propan-1-amine (46170-17-6) + 2-[(3,4-dichlorophenyl)amino]-1,3-thiazole-4-carboxylic acid (952182-44-4) → N-(3-(1H-indol-1-yl)propyl) 2-((3,4-dichlorophenyl)amino)thiazole-4-carboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acs.jmedchem.9b01244

upstream raw materials:

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

dimethyl amine

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