3-(2,3-dihydro-1H-pyrrol-5-yl)pyridine

Base Information

• Chemical Name: 3-(2,3-dihydro-1H-pyrrol-5-yl)pyridine
• CAS No.: 1125-96-8
• Molecular Formula: C9H10 N2
• Molecular Weight: 146.192
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40920819
• Nikkaji Number: J51.342C
• Wikidata: Q82893529
• ChEMBL ID: CHEMBL2286829
• Mol file: 1125-96-8.mol

Synonyms:1125-96-8;2-(3-Pyridinyl)-2-pyrroline;3-(2,3-dihydro-1H-pyrrol-5-yl)pyridine;Pyridine, 3-(2-pyrrolin-2-yl);3-(2,3-Dihydropyrrol-2-yl)pyridine;BRN 0607300;3-(4,5-Dihydro-1H-pyrrol-2-yl)pyridine;2-[3-pyridyl]pyrroline;SCHEMBL1207625;CHEMBL2286829;DTXSID40920819;Pyridine, 3-(2-pyrrolin-2-yl)-;AKOS006223479;LS-131943;LS-131944

Chemical Property of 3-(2,3-dihydro-1H-pyrrol-5-yl)pyridine

Chemical Property:

• Vapor Pressure: 0.000356mmHg at 25°C
• Boiling Point: 318.7°C at 760 mmHg
• Flash Point: 146.5°C
• PSA: 24.92000
• Density: 1.095g/cm³
• LogP: 1.74460
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=C1)C2=CN=CC=C2

Technology Process of 3-(2,3-dihydro-1H-pyrrol-5-yl)pyridine

There total 4 articles about 3-(2,3-dihydro-1H-pyrrol-5-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: 82.0%

1-(butenyl)-3-(pyridine-3-carbonyl)pyrrolidin-2-one (1308392-26-8) → myosmine (1125-96-8)

Guidance literature:

With nitric acid; at 5 ℃; for 8h; Reagent/catalyst;

Reference yield: 60.0%

4-amino-1-(3-pyridyl)-1-butanol (1226127-81-6) → myosmine (1125-96-8)

Guidance literature:

With dmap; [2,2]bipyridinyl; 2-azatricyclo[3.3.1.1^3,7]dec-2-yloxidanyl; copper(l) chloride; In acetonitrile; at 20 ℃; for 2h; chemoselective reaction;

DOI:10.1002/anie.201309634

Reference yield:

methyl 3-pyridinecarboxylate (93-60-7) → myosmine (1125-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethanolate / tert-butyl methyl ether / 3 h / 50 °C / Inert atmosphere

2: nitric acid / 8 h / 5 °C

With nitric acid; sodium ethanolate; In tert-butyl methyl ether;

upstream raw materials:

1-(butenyl)-3-(pyridine-3-carbonyl)pyrrolidin-2-one

4-amino-1-(3-pyridyl)-1-butanol

methyl 3-pyridinecarboxylate

Downstream raw materials:

3-(1-methyl-pyrrolidin-2-yl)-pyridine

rac-nornicotine