3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

Base Information

• Chemical Name: 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
• CAS No.: 21000-95-3
• Molecular Formula: C15H20N2
• Molecular Weight: 228.3327
• Hs Code.: 2933990090
• European Community (EC) Number: 654-844-5
• DSSTox Substance ID: DTXSID30175210
• Nikkaji Number: J62.682A
• Wikidata: Q83045486
• ChEMBL ID: CHEMBL57478
• Mol file: 21000-95-3.mol

Synonyms:21000-95-3;3-[(4-methylpiperidin-1-yl)methyl]-1H-indole;3-((4-Methylpiperidin-1-yl)methyl)-1H-indole;BRN 0191400;CHEMBL57478;AURORA 16336;3-(4-Methyl-piperidin-1-ylmethyl)-1H-indole;INDOLE, 3-((4-METHYLPIPERIDINO)METHYL)-;3-((4-Methylpiperidino)methyl)indole;D06NTB;Oprea1_382776;Oprea1_731728;SCHEMBL13504100;DTXSID30175210;BDBM50050469;STK617550;AKOS002266584;3-(4-Methylpiperidinomethyl)-1H-indole;LS-83280;PD180937;CS-0256852;3-[(4-methyl-1-piperidinyl)methyl]-1H-indole;AB00084678-01;EN300-6541568;Z131833926

Chemical Property of 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Boiling Point: 370.5°Cat760mmHg
• Flash Point: 177.9°C
• PSA: 19.03000
• Density: 1.096g/cm³
• LogP: 3.33770
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 228.162648646
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

3-(4-METHYLPIPERIDINOMETHYL)INDOLE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)CC2=CNC3=CC=CC=C32

Technology Process of 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

There total 3 articles about 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole 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: 98.0%

indole (120-72-9) + 4-methylpiperidin (626-58-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 3-(4-Methyl-piperidinomethyl)-indol (21000-95-3)

Guidance literature:

With 12-tungstophosphoric acid immobilized on γ -Fe₂O₃@SiO2; In water; at 20 ℃; for 3h;

DOI:10.1246/cl.2012.438

Reference yield: 79.0%

C15H18N2O (1155989-25-5) → 3-(4-Methyl-piperidinomethyl)-indol (21000-95-3)

Guidance literature:

C₁₅H₁₈N₂O; With n-butyllithium; In hexane; toluene; at 0 - 5 ℃; Inert atmosphere;

With diisobutylaluminium hydride; In hexane; toluene; at 0 - 50 ℃; Inert atmosphere;

DOI:10.1055/s-0028-1088071

Reference yield:

→ 3-(4-Methyl-piperidinomethyl)-indol (21000-95-3)

Guidance literature:

/BRN= 193981/;

upstream raw materials:

C₁₅H₁₈N₂O

indole

4-methylpiperidin

formaldehyd

Refernces

• 1、 Todd, Robert,Hossain, M. Mahmun. "A practical synthesis of indole-based heterocycles using an amidoaluminum-mediated strategy". experimental part. p. 1846 - 1850. Retrieved 2010/01/16.