Ethyl 4-oxo-4H-quinolizine-3-carboxylate

Base Information

Chemical Name:Ethyl 4-oxo-4H-quinolizine-3-carboxylate
CAS No.:88612-71-9
Molecular Formula:C₁₂H₁₁NO₃
Molecular Weight:217.224
Hs Code.:2918300090
DSSTox Substance ID:DTXSID90404912
Wikidata:Q82209261
Mol file:88612-71-9.mol

Synonyms:Ethyl 4-oxo-4H-quinolizine-3-carboxylate;88612-71-9;Ethyl 4-Oxo-4H-quinolizine-3-carboxlate;Ethyl 4-oxoquinolizine-3-carboxylate;SCHEMBL4616746;DTXSID90404912;GBDJVIYRDRPISB-UHFFFAOYSA-N;AMY14059;MFCD04039540;3-ethoxycarbonyl-4H-quinolizin-4-one;AKOS022182390;Ethyl4-oxo-4H-quinolizine-3-carboxylate;DS-17116;CS-0100544;FT-0668357;C76949

Suppliers and Price of Ethyl 4-oxo-4H-quinolizine-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
Ethyl4-oxo-4H-quinolizine-3-carboxylate
250mg
$ 251.00

Alichem
Ethyl4-oxo-4H-quinolizine-3-carboxylate
1g
$ 341.38

Crysdot
Ethyl4-oxo-4H-quinolizine-3-carboxylate 95+%
1g
$ 335.00

Medical Isotopes, Inc.
Ethyl4-Oxo-4H-quinolizine-3-carboxlate
10 mg
$ 840.00

TRC
Ethyl4-Oxo-4H-quinolizine-3-carboxlate
25mg
$ 330.00

Usbiological
Ethyl 4-Oxo-4H-quinolizine-3-carboxlate
10mg
$ 418.00

Total 10 raw suppliers

Chemical Property of Ethyl 4-oxo-4H-quinolizine-3-carboxylate

Chemical Property:

Melting Point:111-113°C
Boiling Point:162-165 °C(Press: 2 Torr)
PKA:-2.87±0.40(Predicted)
PSA：47.78000
Density:1.28±0.1 g/cm3(Predicted)
LogP:1.47620
Storage Temp.:-20°C Freezer
Solubility.:Chloroform
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:217.07389321
Heavy Atom Count:16
Complexity:455

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-oxo-4H-quinolizine-3-carboxylate ^*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

Technology Process of Ethyl 4-oxo-4H-quinolizine-3-carboxylate

There total 5 articles about Ethyl 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: 82.0%

: 109-06-8
α-picoline

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 88612-71-9
ethyl 4-oxo-4H-quinolizine-3-carboxylate

Guidance literature:: α-picoline; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexanes; at -78 - -60 ℃; for 0.5h; Inert atmosphere;

diethyl 2-ethoxymethylenemalonate; In tetrahydrofuran; hexanes; at -60 - -20 ℃; Inert atmosphere;

In xylenes; for 16h; Reflux;
DOI:10.1021/jm200400m

Reference yield: 25.0%

: 101192-15-8
ethyl 3-ethoxy-2-ethoxycarbonyl-4-(pyridin-2-yl)butyrate

: 88612-71-9
ethyl 4-oxo-4H-quinolizine-3-carboxylate

Guidance literature:: In 5,5-dimethyl-1,3-cyclohexadiene; for 48h; Reflux;
DOI:10.1039/c7ob02965a

Reference yield:

: 109-06-8
α-picoline

: 88612-71-9
ethyl 4-oxo-4H-quinolizine-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran; n-heptane; ethylbenzene / 0.5 h / -78 °C / Inert atmosphere

1.2: 3.5 h / -20 °C / Inert atmosphere

2.1: 5,5-dimethyl-1,3-cyclohexadiene / 48 h / Reflux

With lithium diisopropyl amide; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; n-heptane; ethylbenzene;
DOI:10.1039/c7ob02965a