Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate

Basic Information

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CAS Number

55804-66-5

Molecular Formula

C18H19NO4

Molecular Weight

313.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

148.0 to 152.0 deg-C

Boiling Point

453.15°C (rough estimate)

Density

1.2389 (rough estimate)

Flash Point

281.9°C

Refractive Index

1.5100 (estimate)

SMILES

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CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3

InChI

InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3

InChIKey

VMJKUPWQKZFFCX-UHFFFAOYSA-N

LogP

2.6685000000000008

Topological Polar Surface Area

59.75 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

543

Synonyms & References

English

CCRIS 4963
AKOS000813874
ethyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
Q27123014
CCRIS-4963
NSC338967
Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
Ethyl 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraene-5-carboxylate
VU0549387-1
Ethyl 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate
WM5MO60RUO
1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester
EINECS 259-825-1
Coumarin 504
T71057
NSC-338967
COUMARIN314
CHEMBL2000369
CHEBI:51940
Ethyl 2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carboxylate
2,3,5,6-1H,4H-Tetrahydro-9-carbethoxyquinolizino-[9,9a,1-gh]coumarin
C-314
ethyl11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate
pyrido[3,2,1-ij]quinoline-10-carboxylate
A913750
C2268
Oprea1_687293
ETHYL 4-OXO-3-OXA-13-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1,5,7,9(17)-TETRAENE-5-CARBOXYLATE
NS00033401
Ethyl 11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]
Coumarin 314

MDL Number

MFCD00051334

FAQ

What regulatory guidelines apply to Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5)?

Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and may require specific classifications and handling as per FDA and EPA guidelines. These regulations cover health, environmental, and physical hazards associated with the compound.

Are there alternatives to Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5) in synthesis?

Alternatives to Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5) in synthesis include various pyridine-based compounds with similar functional groups, such as 11-oxo-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid. These alternatives can serve as more readily available or cost-effective reagents in the synthesis process.

What is the market or research trend for Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5)?

Market trends for Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5) indicate growing interest in its use as a precursors in pharmaceuticals and agrochemicals due to its unique structural properties. Research trends suggest ongoing exploration of its biological activity and potential applications in medicinal chemistry.

How should waste containing Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5) be handled?

Waste containing Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate (CAS: 55804-66-5) should be collected and disposed of in accordance with local and national regulations. Proper waste management includes neutralization or incineration, ensuring minimal environmental impact. It is advisable to work with licensed waste disposal professionals to handle and dispose of such waste safely and legally.