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

Base Information

• Chemical Name: 6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• CAS No.: 180160-77-4
• Molecular Formula: C13H13 Cl N2
• Molecular Weight: 232.713
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70434939
• Wikidata: Q82249546
• Mol file: 180160-77-4.mol

Synonyms:180160-77-4;6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;6-CHLORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE;SCHEMBL6599102;DTXSID70434939;BBL030990;MFCD08437637;STL352062;AKOS009344294;SB34415;VS-10166;CS-0340616;FT-0719451;A881152;6-chloro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole;6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1-H-indole

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

Chemical Property:

• PSA: 27.82000
• LogP: 3.52680
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.0767261
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

6-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC=C1C2=CNC3=C2C=CC(=C3)Cl

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

There total 4 articles about 6-chloro-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: 53.0%

→ 6-Chloro-3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indole (180160-77-4)

Guidance literature:

With hydrogenchloride; In dichloromethane; ethyl acetate; for 3h;

Reference yield:

6-chloroindole (17422-33-2) + 4-piperidone monohydrochloride monohydrate (40064-34-4,320589-77-3) → 7-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (180160-69-4) + 6-Chloro-3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indole (180160-77-4)

Guidance literature:

Reference yield:

6-chloroindole (17422-33-2) + piperidine-4,4-diol hydrochloride (40064-34-4) → 6-Chloro-3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indole (180160-77-4)

Guidance literature:

With potassium hydroxide; In methanol; for 16h; Heating;

DOI:10.1021/jm00104a006

upstream raw materials:

6-chloroindole

piperidine-4,4-diol hydrochloride

4-piperidone monohydrochloride monohydrate

Downstream raw materials:

N-tert-butyloxycarbonylpiperidin-4-one

N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)eth-1-yl)-3-(4-(6-chloroindol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl)propanamide

Refernces

• 1、 -. "COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS". . . Retrieved 2008/06/13.
• 2、 -. "INHIBITION OF SEROTONIN REUPTAKE". . . Retrieved 2008/06/13.