Indolizine-3-carbonitrile

Base Information

• Chemical Name: Indolizine-3-carbonitrile
• CAS No.: 72090-73-4
• Molecular Formula: C₉H₆N₂
• Molecular Weight: 142.16
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90501495
• Nikkaji Number: J504.357C
• Wikidata: Q82353892
• Mol file: 72090-73-4.mol

Synonyms:Indolizine-3-carbonitrile;72090-73-4;3-Indolizinecarbonitrile;3-cyanoindolizine;SCHEMBL2000282;DTXSID90501495;FT-0689732

Chemical Property of Indolizine-3-carbonitrile

Chemical Property:

• PSA: 28.20000
• LogP: 1.81098
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.053098200
• Heavy Atom Count: 11
• Complexity: 191

Purity/Quality:

≥99% ^*data from raw suppliers

Indolizine-3-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC=C(N2C=C1)C#N

Technology Process of Indolizine-3-carbonitrile

There total 14 articles about Indolizine-3-carbonitrile 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: 100.0%

1-(trimethylsilyl)-3-cyanoindolizine (87277-13-2) → 3-cyanoindolizine (72090-73-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

Reference yield: 100.0%

1,2-di(trimethylsilyl)-3-cyanoindolizine (87277-12-1) → 3-cyanoindolizine (72090-73-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

Reference yield: 77.0%

2-methylthioindolizine-3-carbonitrile (120616-17-3) → 3-cyanoindolizine (72090-73-4)

Guidance literature:

With hydrogen; nickel; In ethanol; for 20h; Heating;

upstream raw materials:

Phenyl vinyl sulfoxide

pyridinium 1-dicyanomethylide

Bis(trimethylsilyl)ethyne

2-methylthioindolizine-3-carbonitrile

Downstream raw materials:

1-[(Z)-2-(2,3-Bis-methoxycarbonyl-phenyl)-vinyl]-5-cyano-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester

Refernces

• 1、 -. "(AZA)INDOLIZINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF". . . Retrieved 2013/08/15.
• 2、 Tominaga, Yoshinori,Ichihara, Yuichi,Hosomi, Akira. "NITROOLEFINS. I. A NEW AND CONVENIENT ACCESS TO INDOLIZINES AND PYRAZOLOPYRIDINES USING 1-NITRO-2-(PHENYLTHIO>ETHYLENE". . p. 2345 - 2348. Retrieved 2007/10/02.