2-(1H-Pyrrol-1-yl)pyridine

Base Information

• Chemical Name: 2-(1H-Pyrrol-1-yl)pyridine
• CAS No.: 50966-74-0
• Molecular Formula: C9H8N2
• Molecular Weight: 144.176
• Hs Code.: 2933990090
• European Community (EC) Number: 256-867-2
• UNII: 4HNC0LJ5NG
• DSSTox Substance ID: DTXSID00198976
• Nikkaji Number: J261.598C
• Wikidata: Q72505758
• ChEMBL ID: CHEMBL1643350
• Mol file: 50966-74-0.mol

Synonyms:2-(1H-Pyrrol-1-yl)pyridine;50966-74-0;2-pyrrol-1-ylpyridine;1-(2-Pyridyl)pyrrole;4HNC0LJ5NG;EINECS 256-867-2;1-(2-pyridinyl)-1H-pyrrole;N-Pyridyl-Pyrrol;Pyridine, 2-(1H-pyrrol-1-yl)-;UNII-4HNC0LJ5NG;N-(2-PYRIDYL)PYRROLE;SCHEMBL1437298;1-(2-PYRIDINYL)PYRROLE;CHEMBL1643350;DTXSID00198976;BBL020353;MFCD00023415;STK891560;AKOS000114077;SB62516;BS-28509;CS-0205983;FT-0608372;3,3-DIETHYLTHIATRICARBOCYANINEPERCHLORATE

Chemical Property of 2-(1H-Pyrrol-1-yl)pyridine

Chemical Property:

• Vapor Pressure: 0.0183mmHg at 25°C
• Melting Point: 17 °C
• Refractive Index: 1.591
• Boiling Point: 261.9 °C at 760 mmHg
• PKA: -0.06±0.19(Predicted)
• Flash Point: 112.2 °C
• PSA: 17.82000
• Density: 1.06 g/cm³
• LogP: 1.87230
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.068748264
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-pyrrol-1-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)N2C=CC=C2

Technology Process of 2-(1H-Pyrrol-1-yl)pyridine

There total 7 articles about 2-(1H-Pyrrol-1-yl)pyridine 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: 96.0%

2-bromo-pyridine (109-04-6) + pyrrole (109-97-7,30604-81-0) → 2-(1H-pyrrol-1-yl)pyridine (50966-74-0)

Guidance literature:

With 1-hydroxy-pyrrolidine-2,5-dione; copper(l) iodide; sodium methylate; In dimethyl sulfoxide; at 110 ℃; for 24h;

DOI:10.1021/jo7015983

Reference yield: 95.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2-aminopyridine (504-29-0) → 2-(1H-pyrrol-1-yl)pyridine (50966-74-0)

Guidance literature:

In water; at 150 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2009.06.079

Reference yield: 90.0%

2-iodopyridine (5029-67-4) + pyrrole (109-97-7,30604-81-0) → 2-(1H-pyrrol-1-yl)pyridine (50966-74-0)

Guidance literature:

With copper(I) oxide; caesium carbonate; In dimethyl sulfoxide; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2013.06.095

upstream raw materials:

2-aminopyridine

meso-galactaric acid

2-chloropyridine

potassium pyrrolide

Downstream raw materials:

2-{2,5-bis(4-methoxyphenyl)-1H-pyrrol-1-yl}pyridine