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

Base Information

• Chemical Name: 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• CAS No.: 127792-80-7
• Molecular Formula: C13H13 Br N2
• Molecular Weight: 277.164
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10377119
• Nikkaji Number: J336.563H
• Wikidata: Q82166190
• ChEMBL ID: CHEMBL27592
• Mol file: 127792-80-7.mol

Synonyms:127792-80-7;5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;5-bromo-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole;CHEMBL27592;5-Bromo-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole;MFCD07366543;5-bromo-3-[1,2,3,6-tetrahydro-4-pyridinyl]-1H-indole;SCHEMBL7460028;DTXSID10377119;CFA79280;BBL030757;BDBM50015709;STK659827;AKOS005069897;CS-0443878;FT-0680261;2Z-0814;J-517002;5-bromo 3-[1,2,3,6-tetrahydro-4-pyridinyl]-1H-indole;3-[(1,2,3,6-Tetrahydropyridin)-4-yl]-5-bromo-1H-indole

Chemical Property of 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

Chemical Property:

• Vapor Pressure: 2.85E-08mmHg at 25°C
• Melting Point: 190-192oC
• Boiling Point: 449.5°Cat760mmHg
• Flash Point: 225.6°C
• PSA: 27.82000
• Density: 1.485g/cm³
• LogP: 3.63590
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 276.02621
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC=C1C2=CNC3=C2C=C(C=C3)Br

Technology Process of 5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

There total 6 articles about 5-bromo-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:

4-piperidone·HCl·H2 O + 5-benzyloxy-1H-indole (1215-59-4) → 5-(benzyloxy)-3-(1,2,3,6-tetrahydro-4-pyridyl)-1H-indole (176661-73-7) + 5-bromo-3-<1,2,3,6-tetrahydro-4-pyridinyl>-1H-indole (127792-80-7)

Guidance literature:

Reference yield:

5-bromo-1H-indole (10075-50-0) + aqueous sodium chloride + 4-piperidone·HCl·H2 O → 5-bromo-3-<1,2,3,6-tetrahydro-4-pyridinyl>-1H-indole (127792-80-7)

Guidance literature:

With potassium hydroxide; In methanol;

Reference yield:

5-bromo-1H-indole (10075-50-0) + aqueous sodium chloride + 4 -piperidone.HCl.H2 O → 5-bromo-3-<1,2,3,6-tetrahydro-4-pyridinyl>-1H-indole (127792-80-7)

Guidance literature:

With potassium hydroxide; In methanol;

upstream raw materials:

5-bromo-1H-indole

4-piperidone hydrochloride

5-benzyloxy-1H-indole

4-piperidone monohydrochloride monohydrate

Downstream raw materials:

5-bromo-3-[piperidine-4-yl]-1H-indole