ethyl 1-cyano-4-oxo-4H-quinolizine-3-carboxylate

Base Information

• Chemical Name: ethyl 1-cyano-4-oxo-4H-quinolizine-3-carboxylate
• CAS No.: 21203-19-0
• Molecular Formula: C13H10N2O3
• Molecular Weight: 242.23000
• DSSTox Substance ID: DTXSID40384477
• Wikidata: Q82176642
• Mol file: 21203-19-0.mol

Synonyms:ethyl 1-cyano-4-oxo-4H-quinolizine-3-carboxylate;21203-19-0;Maybridge1_003285;ethyl 1-cyano-4-oxoquinolizine-3-carboxylate;Oprea1_074657;HMS550N07;DTXSID40384477;CCG-49283;MFCD00111899;ethyl1-cyano-4-oxo-4H-quinolizine-3-carboxylate;SR-01000638748-1

Chemical Property of ethyl 1-cyano-4-oxo-4H-quinolizine-3-carboxylate

Chemical Property:

• PSA: 71.57000
• LogP: 1.34788
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.06914219
• Heavy Atom Count: 18
• Complexity: 585

Purity/Quality:

Ethyl1-cyano-4-oxo-4H-quinolizine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=C2C=CC=CN2C1=O)C#N

Technology Process of ethyl 1-cyano-4-oxo-4H-quinolizine-3-carboxylate

There total 4 articles about ethyl 1-cyano-4-oxo-4H-quinolizine-3-carboxylate 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: 84.0%

pyridine-2-acetonitrile (2739-97-1) + diethyl N,N-dimethylaminomethylenemalonate (18856-68-3) → 1-cyano-3-ethoxycarbonyl-4-oxo-4H-quinolizine (21203-19-0)

Guidance literature:

In acetic acid; for 240h; Ambient temperature;

DOI:10.1002/jhet.5570330407

Reference yield: 55.0%

pyridine-2-acetonitrile (2739-97-1) + diethyl 2-ethoxymethylenemalonate (87-13-8) → 1-cyano-3-ethoxycarbonyl-4-oxo-4H-quinolizine (21203-19-0)

Guidance literature:

With sodium ethanolate; In ethanol; at 25 ℃; for 0.75h;

DOI:10.1002/jhet.5570240320

Reference yield:

pyridine-2-acetonitrile (2739-97-1) + sodium ethanolate (141-52-6) + diethyl 2-ethoxymethylenemalonate (87-13-8) → 1-cyano-3-ethoxycarbonyl-4-oxo-4H-quinolizine (21203-19-0)

Guidance literature:

upstream raw materials:

pyridine-2-acetonitrile

sodium ethanolate

diethyl 2-ethoxymethylenemalonate

diethyl N,N-dimethylaminomethylenemalonate

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