Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate

Basic Information

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CAS Number

79660-46-1

Molecular Formula

C12H8F3NO3

Molecular Weight

271.19 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

275 °C (dec.)

Density

1.451

SMILES

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CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)F)F)F

InChI

InChI=1S/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17)

InChIKey

ONQDAESGZUODFI-UHFFFAOYSA-N

LogP

2.1220999999999997

Topological Polar Surface Area

59.16 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

426

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID90229824
SY110590
ethyl 4-hydroxy-6,7,8-trifluoroquinoline-3-carboxylate
BRN 4814660
CS-W008505
ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate
ONQDAESGZUODFI-UHFFFAOYSA-N
Ethyl 6,7,8-trifluoro-1,4-dihydro- 4-oxo-3-quinolinecarboxylate
AKOS004938891
EN300-75006
DS-6296
MFCD00276021
SB71453
SCHEMBL538577
AMY22650
Ethyl-6,7,8-trifluoro-4-oxohydroxyquinoline-3-carboxylate
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
A839731
79660-46-1
Ethyl 6,7,8-trifluoro-4-hydroxy-3-quinolinecarboxylate
6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, ethyl ester
Ethyl 6,7,8-trifluoro-4-hydroxy-3-quinoline-carboxylate
6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid ethyl ester
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
FT-0641729
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate, 98%
3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6,7,8-trifluoro-, ethyl ester
SCHEMBL9635290
Ethyl 1,4-dihydro-4-oxo-6,7,8-trifluoro-3-quinolinecarboxylate
DM-7
D70362

MDL Number

MFCD00276021

FAQ

What are the physical and chemical properties of Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS: 79660-46-1)?

Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate is a crystalline solid with a molecular weight of approximately 272.18 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is reactive and can undergo various chemical transformations, such as reduction and alkylation.

How is Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS: 79660-46-1) typically synthesized?

Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate is typically synthesized via a multi-step process involving the condensation of ethyl 4-aminobenzoate with 2,3,4-trifluorobenzoyl chloride followed by an acylation step. The reaction is catalyzed by a Lewis acid and proceeds with good yield and selectivity.

What industries use Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS: 79660-46-1)?

Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate finds application in the pharmaceutical industry for the synthesis of medicinal compounds. It is also used in the polymer industry for the development of fluorinated polymers and in sensor technology for its unique electronic properties.

What precautions should be taken when handling Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS: 79660-46-1)?

When handling Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate, it is essential to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up carefully, and the substance should be stored in a cool, dry place away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information.