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

Base Information

• Chemical Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• CAS No.: 65347-55-9
• Molecular Formula: C13H14N2
• Molecular Weight: 198.268
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID20375484
• Nikkaji Number: J292.984H
• Wikidata: Q82164028
• ChEMBL ID: CHEMBL27811
• Mol file: 65347-55-9.mol

Synonyms:3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;65347-55-9;38620-69-8;MLS000093715;SMR000029333;3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole;CHEMBL27811;3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole;MFCD03695471;THPindole;ChemDiv2_002931;D02MVR;SCHEMBL653742;BDBM31023;cid_2761023;DTXSID20375484;CIRSPTXGPFAXRE-UHFFFAOYSA-N;HMS1377F05;AMY17962;BBL010213;STK801496;AKOS000505683;CCG-139909;FS-1743;PD180756;3_1236_Tetrahydro_4_pyridynyl_1H_indole;3-(1,2,3,6-tetrahydropyridin-4-yl)indole;BB 0218498;FT-0602348;FT-0677342;EN300-24706;3-(1,2,3,6-tetrahydro-4-pyridinyl)1H-indol;3-(1,2,3,6-tetrahydro-4-pyridinyl)1H-indole;3-(1,2,3,6-tetrahydro-4-pyridyl)-1H-indole;3-(1,2,3,6-tetrahydro-4-pyrinyl)-1h-indole;3-(1,2,3,6-tetrahydropyridin-4yl)-1H-indole;3-(1,2,3,6-tetrahydropyridin4-yl)-1H-indole;3-(1,2,3,6tetrahydropyridin-4-yl)-1H-indole;3-(1,2,3,6-tetrahydro-4-pyridinyl)1-H-indole;3-(1,2,3,6-tetrahydro-4-pyridyl)-1-H-indole;3-(1,2,3,6-tetrahydropyridin4-yl)- 1H-indole;3-(1,2,3,6-tetrahydropyridin4-yl)-1H -indole;3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indole;A823963;SR-01000607393;3-(1,2,3,6-tetrahydro-4-pyridinyl )-1H-indole;3-(1,2,3,6-tetrahydro-4-pyridinyl)-1 H-indole;3-(1,2,3,6-tetrahydro-pyri-din-4yl)-1h-indole;3-(1.2,3.6-Tetrahydropyridin-4-yl)-1 H-Indole;4-([1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine;SR-01000607393-2;4-([1H]-indol-3-yl)-1,2,3,6-tetrahydro-pyridine;F9995-2686;Z199509010;3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indole, AldrichCPR;N-Methyl-4-aminobenzylamine

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

Chemical Property:

• Vapor Pressure: 2.42E-09mmHg at 25°C
• Melting Point: 177-182 °C
• Refractive Index: 1.691
• Boiling Point: 400.4 °C at 760 mmHg
• Flash Point: 195.9 °C
• PSA: 27.82000
• Density: 1.163 g/cm³
• LogP: 2.87340
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.115698455
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC=C1C2=CNC3=CC=CC=C32

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

There total 9 articles about 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: 91.0%

indole (120-72-9) + 4-piperidone hydrochloride (41979-39-9) → 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (65347-55-9)

Guidance literature:

With sodium methylate; In methanol; for 18h; Heating / reflux;

Reference yield: 70.0%

indole (120-72-9) + piperidine-4,4-diol hydrochloride (40064-34-4) → 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (65347-55-9)

Guidance literature:

With potassium hydroxide; In methanol; for 5.5h; Reflux;

DOI:10.1016/j.bmcl.2012.01.122

Reference yield: 63.0%

indole (120-72-9) + 4-piperidone monohydrochloride monohydrate (40064-34-4,320589-77-3) → potassium chloride + 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (65347-55-9)

Guidance literature:

In methanol; potassium hydroxide;

upstream raw materials:

indole

4-piperidone hydrochloride

piperidine-4,4-diol hydrochloride

piperidin-4-one

Downstream raw materials:

4-(1H-indol-3-yl)-piperidine-1-carboxylic acid (4-dimethylamino-4-phenyl-cyclohexylmethyl)-amide

4-(1H-indol-3-yl)piperidinium chloride

SSA-426

Refernces

• 1、 -. "PHARMACEUTICAL COMPOUND". Page/Page column 141-142. . Retrieved 2015/06/18.
• 2、 Conway, Richard J.,Valant, Celine,Christopoulos, Arthur,Robertson, Alan D.,Capuano, Ben,Crosby, Ian T.. "Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6- tetrahydropyridines as 5-HT2C agonists". supporting information; experimental part. p. 2560 - 2564. Retrieved 2012/05/05.