2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

Base Information

• Chemical Name: 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• CAS No.: 84461-65-4
• Molecular Formula: C14H16N2
• Molecular Weight: 212.29000
• DSSTox Substance ID: DTXSID60390550
• ChEMBL ID: CHEMBL1550957
• Mol file: 84461-65-4.mol

Synonyms:2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;84461-65-4;SMR000028204;MLS000045807;1H-Indole, 2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-;ChemDiv3_009942;SCHEMBL7215824;CHEMBL1550957;BDBM31030;cid_3245407;DTXSID60390550;JLVLNPGKFHWCCQ-UHFFFAOYSA-N;HMS1501D20;HMS2444J20;AKOS009158563;CCG-133566;IDI1_027852;FT-0751326;EN300-45432;SR-01000105825;SR-01000105825-1;Z385446098;2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1h indole

Chemical Property of 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

Chemical Property:

• PSA: 27.82000
• LogP: 3.18180
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.131348519
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2N1)C3=CCNCC3

Technology Process of 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

There total 3 articles about 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-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: 80.0%

2-methyl-1H-indole (95-20-5) + 4-piperidone hydrochloride (41979-39-9) → 2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole (84461-65-4)

Guidance literature:

With phosphoric acid; In acetic acid; Ambient temperature;

Reference yield:

2-methyl-1H-indole (95-20-5) + 4-piperidone monohydrochloride monohydrate (40064-34-4,320589-77-3) → 2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole (84461-65-4)

Guidance literature:

With phosphoric acid; In acetic acid; at 80 ℃;

DOI:10.1016/j.ejmech.2013.03.006

Reference yield:

→ 2-methyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole (84461-65-4)

Guidance literature:

upstream raw materials:

2-methyl-1H-indole

4-piperidone hydrochloride

4-piperidone monohydrochloride monohydrate

Downstream raw materials:

3,N-dimethyl-N-(2-(4-(2-methyl-1H-indol-3-yl)-3,6 dihydro-2H-pyridin-1-yl)ethyl)benzenesulfonamide