4-{1H-pyrrolo[2,3-b]pyridin-3-yl}piperidine

Base Information

• Chemical Name: 4-{1H-pyrrolo[2,3-b]pyridin-3-yl}piperidine
• CAS No.: 149692-82-0
• Molecular Formula: C12H15 N3
• Molecular Weight: 237.73
• Hs Code.: 2933990090
• European Community (EC) Number: 857-779-2
• DSSTox Substance ID: DTXSID10420614
• Mol file: 149692-82-0.mol

Synonyms:149692-82-0;4-{1H-pyrrolo[2,3-b]pyridin-3-yl}piperidine;3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;3-(piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1H-Pyrrolo[2,3-b]pyridine, 3-(4-piperidinyl)-;3-Piperidin-4-yl-1H-pyrrolo[2,3-6]pyridine;3-Piperidin-4-yl-1H-pyrrolo[2,3-6]pyridine HCl;4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)piperidine;SCHEMBL2262735;DTXSID10420614;OUNKWLVIJBPPIF-UHFFFAOYSA-N;MFCD06411247;STK938801;AKOS009344474;BS-14030;CS-0004109;FT-0688233;3-piperidin-4-yl-1h-pyrrolo[2.3-b]pyridine;EN300-49533;3-(4-Piperidinyl)-1H-pyrrolo[2,3-b]pyridine;J-008608;Z234897683

Chemical Property of 4-{1H-pyrrolo[2,3-b]pyridin-3-yl}piperidine

Chemical Property:

• Vapor Pressure: 1.17E-06mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 401.6°C at 760 mmHg
• PKA: 10.29±0.10(Predicted)
• Flash Point: 196.7°C
• PSA: 40.71000
• Density: 1.167g/cm³
• LogP: 2.35870
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

98.5% ^*data from raw suppliers

3-Piperidin-4-yl-1H-pyrrolo[2,3-6]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CNC3=C2C=CC=N3

Technology Process of 4-{1H-pyrrolo[2,3-b]pyridin-3-yl}piperidine

There total 4 articles about 4-{1H-pyrrolo[2,3-b]pyridin-3-yl}piperidine 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: 48.0%

3-(1-ethoxycarbonyl-piperidin-4-yl)-pyrrolo[2,3-b]pyridine-1-carboxylic acid ethyl ester → 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (149692-82-0)

Guidance literature:

3-(1-ethoxycarbonyl-piperidin-4-yl)-pyrrolo[2,3-b]pyridine-1-carboxylic acid ethyl ester; With potassium hydroxide; isopropyl alcohol; for 20h; Heating / reflux;

With hydrogenchloride; In water;

Reference yield:

tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate → 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (149692-82-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2007.08.038

Reference yield:

3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (281658-42-2) → 3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (149692-82-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; water;

upstream raw materials:

3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

Downstream raw materials:

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidine-1-carboxylic acid ethyl ester

Refernces

• 1、 -. "3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS". Page/Page column 50. . Retrieved 2008/06/13.
• 2、 -. "AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS". Page/Page column 22-23. . Retrieved 2008/06/13.