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

Base Information

• Chemical Name: 3-(2,3-dihydro-1H-indol-1-yl)propan-1-amine
• CAS No.: 61123-70-4
• Molecular Formula: C₁₁H₁₆N₂
• Molecular Weight: 176.261
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10424334
• Nikkaji Number: J3.436.299H
• Wikidata: Q82236861
• ChEMBL ID: CHEMBL4300737
• Mol file: 61123-70-4.mol

Synonyms:61123-70-4;3-(2,3-dihydro-1H-indol-1-yl)propan-1-amine;3-(Indolin-1-yl)propan-1-amine;3-(2,3-Dihydro-indol-1-yl)-propylamine;3-(2,3-dihydroindol-1-yl)propan-1-amine;3-indolinylpropylamine;Oprea1_506001;SCHEMBL6216648;CHEMBL4300737;DTXSID10424334;NRUUORGEWIRLJT-UHFFFAOYSA-N;HMS1704J03;MFCD03011732;STK873739;2,3-Dihydro-1H-indole-1-propanamine;AKOS000123825;CCG-296802;SB65588;BS-52025;BB 0216537;CS-0245684;FT-0677848;EN300-30912;E78574;3-(2,3-Dihydro-1H-indole-1-yl)propane-1-amine;A868799;F2187-2274;Z271005912;3-(2,3-Dihydro-1H-indol-1-yl)propan-1-amine, AldrichCPR

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

Chemical Property:

• PSA: 29.26000
• LogP: 2.16320
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

3-(2,3-dihydro-1H-indol-1-yl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C2=CC=CC=C21)CCCN

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

There total 5 articles about 3-(2,3-dihydro-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: 68.0%

3-(indolin-1-yl)propanenitrile (91349-96-1) → 3-(2,3-dihydro-1H-indole-1-yl)propan-1-amine (61123-70-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 24h;

Reference yield: 61.0%

1-indoline (496-15-1) + 3-bromopropylamine hydrochloride (5003-71-4) → 3-(2,3-dihydro-1H-indole-1-yl)propan-1-amine (61123-70-4)

Guidance literature:

1-indoline; 3-bromopropylamine hydrochloride; With sodium hydrogencarbonate; In water; at 95 ℃; Reflux;

With sodium hydroxide; In water; at 20 ℃;

DOI:10.1007/s11172-016-1570-1

Reference yield:

3-(1H-indol-1-yl)propanenitrile (4414-79-3) → 3-(2,3-dihydro-1H-indole-1-yl)propan-1-amine (61123-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; sodium cyanoborohydride / 0 - 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 24 h / Reflux

With lithium aluminium tetrahydride; sodium cyanoborohydride; acetic acid; In tetrahydrofuran;

DOI:10.1021/acs.jmedchem.8b00001

upstream raw materials:

3-(indolin-1-yl)propanenitrile

1-indoline

3-chloropropan-1-amine

3-bromopropylamine hydrochloride