3-(1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride

Base Information

• Chemical Name: 3-(1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride
• CAS No.: 75392-23-3
• Molecular Formula: C13H14ClN3O2
• Molecular Weight: 279.7222
• DSSTox Substance ID: DTXSID10996844
• Mol file: 75392-23-3.mol

Synonyms:SCHEMBL11232287;DTXSID10996844;DSCNSPUAQOOMAV-UHFFFAOYSA-N;3-(1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride;5-Nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole--hydrogen chloride (1/1)

Chemical Property of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride

Chemical Property:

• Vapor Pressure: 1.59E-09mmHg at 25°C
• Boiling Point: 484°C at 760 mmHg
• Flash Point: 246.5°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 279.0774544
• Heavy Atom Count: 19
• Complexity: 364

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC=C1C2=CNC3=C2C=C(C=C3)[N+](=O)[O-].Cl

Technology Process of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride

There total 3 articles about 3-(1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride 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: 74.0%

5-nitroindole (6146-52-7) + piperidine-4,4-diol hydrochloride (40064-34-4) → 5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride (75392-23-3)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1016/0223-5234(87)90172-3

Reference yield:

methanolic potassium hydroxide + hydrate of 4-piperidone hydrochloride + 5-nitroindole (6146-52-7) → 5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride (75392-23-3)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

Reference yield:

hydrate of 4-piperidone hydrochloride + 5-nitroindole (6146-52-7) → 5-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride (75392-23-3)

Guidance literature:

In ethanol;

upstream raw materials:

5-nitroindole

piperidine-4,4-diol hydrochloride

Downstream raw materials:

3-(1-propyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride

3-(1-cyclopropylmethyl-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride