3-Ethenyl-1H-pyrrolo[2,3-B]pyridine

Base Information

• Chemical Name: 3-Ethenyl-1H-pyrrolo[2,3-B]pyridine
• CAS No.: 145901-21-9
• Molecular Formula: C₉H₈N₂
• Molecular Weight: 144.176
• DSSTox Substance ID: DTXSID30434430
• Nikkaji Number: J507.282D
• Wikidata: Q82248851
• Mol file: 145901-21-9.mol

Synonyms:145901-21-9;3-ETHENYL-1H-PYRROLO[2,3-B]PYRIDINE;1H-PYRROLO[2,3-B]PYRIDINE, 3-ETHENYL-;1H-Pyrrolo[2,3-b]pyridine,3-ethenyl-(9CI);1H-Pyrrolo[2,3-b]pyridine,3-ethenyl-;SCHEMBL1772824;DTXSID30434430;AKOS006316906;EN300-1837987

Chemical Property of 3-Ethenyl-1H-pyrrolo[2,3-B]pyridine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.715
• Boiling Point: 314.796 °C at 760 mmHg
• Flash Point: 141.695 °C
• PSA: 28.68000
• Density: 1.191 g/cm³
• LogP: 2.20590
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.068748264
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

3-ETHENYL-1H-PYRROLO[2,3-B]PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=CNC2=C1C=CC=N2

Technology Process of 3-Ethenyl-1H-pyrrolo[2,3-B]pyridine

There total 3 articles about 3-Ethenyl-1H-pyrrolo[2,3-B]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: 77.0%

1H-pyrrolo[2,3-b]pyridin-3-carbaldehyde (4649-09-6) + malonic acid (141-82-2) → 3-vinyl-1H-pyrrolo<2,3-b>pyridine (145901-21-9)

Guidance literature:

With piperidine; In pyridine; for 24h; Heating;

DOI:10.1016/S0040-4020(00)00231-3

Reference yield: 62.0%

3-(2-carboxyethenyl)-1H-pyrrolo<2,3-b>pyridine (123530-68-7) → 3-vinyl-1H-pyrrolo<2,3-b>pyridine (145901-21-9)

Guidance literature:

In nitrobenzene; at 140 ℃; for 1h;

DOI:10.1246/bcsj.65.2992

Reference yield:

1H-pyrrolo[2,3-b]pyridin-3-carbaldehyde (4649-09-6) → 3-vinyl-1H-pyrrolo<2,3-b>pyridine (145901-21-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / piperidine / pyridine / 3 h / 100 °C

2: 62 percent / nitrobenzene / 1 h / 140 °C

With piperidine; In pyridine; nitrobenzene;

DOI:10.1246/bcsj.65.2992

upstream raw materials:

3-(2-carboxyethenyl)-1H-pyrrolo<2,3-b>pyridine

1H-pyrrolo[2,3-b]pyridin-3-carbaldehyde

malonic acid

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