2-(1H-Indol-3-yl)-nicotinonitrile

Base Information

• Chemical Name: 2-(1H-Indol-3-yl)-nicotinonitrile
• CAS No.: 3191-30-8
• Molecular Formula: C14H9N3
• Molecular Weight: 219.24100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50463020
• Nikkaji Number: J2.190.455D
• Wikidata: Q72483184
• Mol file: 3191-30-8.mol

Synonyms:2-(1H-Indol-3-yl)-nicotinonitrile;3191-30-8;2-(1H-indol-3-yl)pyridine-3-carbonitrile;2-(1H-Indol-3-yl)nicotinonitrile;3-Pyridinecarbonitrile, 2-(1H-indol-3-yl)-;DTXSID50463020;AKOS015941311

Chemical Property of 2-(1H-Indol-3-yl)-nicotinonitrile

Chemical Property:

• Boiling Point: 487.6±40.0 °C(Predicted)
• PKA: 15.34±0.30(Predicted)
• PSA: 52.47000
• Density: 1.31
• LogP: 3.10158
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 219.079647300
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

2-(1H-Indol-3-yl)-nicotinonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C3=C(C=CC=N3)C#N

Technology Process of 2-(1H-Indol-3-yl)-nicotinonitrile

There total 2 articles about 2-(1H-Indol-3-yl)-nicotinonitrile 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%

indole (120-72-9) + 2-chloro-3-pyridinecarbonitrile (6602-54-6) → 2-{1H-indol-3-yl}nicotinonitrile (3191-30-8)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at 20 - 80 ℃; for 24h;

DOI:10.1021/jo047944h

Reference yield:

→ 2-{1H-indol-3-yl}nicotinonitrile (3191-30-8)

Guidance literature:

Indolmagnesiumiodid in Ae., 1.)2-Chlor-3-cyan-pyridin, 2.)Erhitzen 170-171grad (3h);

upstream raw materials:

indole

2-chloro-3-pyridinecarbonitrile