2-Amino-3-benzoylindolizine-1-carbonitrile

Base Information

• Chemical Name: 2-Amino-3-benzoylindolizine-1-carbonitrile
• CAS No.: 63014-77-7
• Molecular Formula: C16H11N3O
• Molecular Weight: 0.00000
• DSSTox Substance ID: DTXSID701328387
• Nikkaji Number: J2.547.553D
• ChEMBL ID: CHEMBL1875886
• Mol file: 63014-77-7.mol

Synonyms:2-amino-3-benzoylindolizine-1-carbonitrile;63014-77-7;Oprea1_136629;AI-204/31727063;MLS001178562;CHEMBL1875886;DTXSID701328387;HMS1657C22;HMS2806G13;STL321913;AKOS002377485;CCG-274881;SMR000476431;2-amino-3-(phenylcarbonyl)indolizine-1-carbonitrile;Z57147565

Chemical Property of 2-Amino-3-benzoylindolizine-1-carbonitrile

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.090211983
• Heavy Atom Count: 20
• Complexity: 421

Purity/Quality:

2-AMINO-3-BENZOYLINDOLIZINE-1-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C=CC=C3)C#N)N

Technology Process of 2-Amino-3-benzoylindolizine-1-carbonitrile

There total 5 articles about 2-Amino-3-benzoylindolizine-1-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: 90.0%

N-phenacyl-2-chloropyridinium bromide (6273-90-1) + malononitrile (109-77-3) → 2-amino-3-benzoylindolizine-1-carbonitrile (63014-77-7)

Guidance literature:

With triethylamine; In ethanol; at 20 ℃; for 1h;

DOI:10.1023/A:1013240002478

Reference yield: 35.0%

2-[amino-(2-amino-3-benzoylindolizin-1-yl)methylene]malononitrile → 2-amino-3-benzoylindolizine-1-carbonitrile (63014-77-7)

Guidance literature:

In butan-1-ol; Reflux;

DOI:10.1016/j.tetlet.2014.10.046

Reference yield: 32.0%

2-{1-[1-benzoyl-2-(4-fluoro-phenyl)-vinyl]-1H-pyridin-2-ylidene}-malononitrile → 2-amino-3-benzoylindolizine-1-carbonitrile (63014-77-7)

Guidance literature:

With acetic acid; at 20 ℃; for 24h;

DOI:10.1023/A:1013240002478

upstream raw materials:

N-phenacyl-2-chloropyridinium bromide

malononitrile

Downstream raw materials:

2-(p-bromophenyl)-4-phenylpyrido[2,3-b]indolizine-10-carbonitrile

2,4-diphenylpyrido[2,3-b]indolizine-10-carbonitrile

2,4-diphenylpyrido[2,,-b]indolizine-10-carboxamide

2-(2-naphthyl)-4-phenylpyrido[2,3-b]indolizine-10-carbonitrile

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