5-Bromo-3-(piperidin-4-yl)-1H-indole

Base Information

• Chemical Name: 5-Bromo-3-(piperidin-4-yl)-1H-indole
• CAS No.: 149669-42-1
• Molecular Formula: C13H15BrN2
• Molecular Weight: 279.1756
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20459915
• Wikidata: Q72457435
• Mol file: 149669-42-1.mol

Synonyms:5-Bromo-3-(piperidin-4-yl)-1H-indole;149669-42-1;5-bromo-3-piperidin-4-yl-1H-indole;5-Bromo-3-(4-piperidinyl)-1H-indole;SCHEMBL7459828;DTXSID20459915;TQP0491;MFIMYAPBXRJWMQ-UHFFFAOYSA-N;5-bromo-3-[piperidine-4-yl]-1H-indole;E87810

Chemical Property of 5-Bromo-3-(piperidin-4-yl)-1H-indole

Chemical Property:

• Boiling Point: 437.6±45.0 °C(Predicted)
• PKA: 16.10±0.30(Predicted)
• PSA: 27.82000
• Density: 1.429±0.06 g/cm3(Predicted)
• LogP: 3.72620
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 278.04186
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-3-(piperidin-4-yl)-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CNC3=C2C=C(C=C3)Br

Technology Process of 5-Bromo-3-(piperidin-4-yl)-1H-indole

There total 4 articles about 5-Bromo-3-(piperidin-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:

5-bromo-3-<1,2,3,6-tetrahydro-4-pyridinyl>-1H-indole (127792-80-7) → 5-bromo-3-[piperidine-4-yl]-1H-indole (149669-42-1)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; for 1h; under 2250.18 Torr;

DOI:10.1021/jm0498203

Reference yield:

sulfided platinum on carbon + 5-bromo-3-<1,2,3,6-tetrahydro-4-pyridinyl>-1H-indole (127792-80-7) → 5-bromo-3-[piperidine-4-yl]-1H-indole (149669-42-1)

Guidance literature:

In tetrahydrofuran; ethyl acetate;

Reference yield:

5-bromo-1H-indole (10075-50-0) → 5-bromo-3-[piperidine-4-yl]-1H-indole (149669-42-1)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / methanol / 5 h / 70 °C

2: H₂; HCl / Pd/C / methanol / 1 h / 2250.18 Torr

With hydrogenchloride; potassium hydroxide; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/jm0498203

upstream raw materials:

5-bromo-3-<1,2,3,6-tetrahydro-4-pyridinyl>-1H-indole

5-bromo-1H-indole

4-piperidone hydrochloride

Refernces

• 1、 -. "Morpholinyl tachykinin receptor antagonists". . . Retrieved 2008/06/13.
• 2、 -. "5-HT1F agonists for the treatment of migraine". . . Retrieved 2008/06/13.