Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Basic Information

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CAS Number

100491-29-0

Molecular Formula

C17H10ClF3N2O3

Molecular Weight

382.73 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

213.0 to 217.0 deg-C

Boiling Point

502.504°C at 760 mmHg

Flash Point

257.7°C

Refractive Index

1.589

SMILES

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CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)Cl)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C17H10ClF3N2O3/c1-2-26-17(25)10-7-23(13-4-3-8(19)5-11(13)20)16-9(14(10)24)6-12(21)15(18)22-16/h3-7H,2H2,1H3

InChIKey

JLSXYCZRMYCIMY-UHFFFAOYSA-N

LogP

3.6331000000000024

Topological Polar Surface Area

61.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

606

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

DTXSID30361479
7-Chloro-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl es
BCP21058
E1180
MFCD01863285
Oprea1_565735
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester
100491-29-0
NS00015550
7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester
Ethyl 1-(2,4-difluorophenyl)-7-Cl-6-F-4-O-hydropyridino[2,3-B]pyridine-3-carboxylate
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
AMY15545
1,8-Naphthyridine-3-carboxylic acid,7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
ETHYL 7-CHLORO-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-4-OXO-1,4-DIHYDRO[1,8]NAPHTHYRIDINE-3-CARBOXYLATE
FT-0664699
SCHEMBL3236130
ethyl 7-chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-chloro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
C17H10ClF3N2O3
ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE
CS-0114163
7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester
JLSXYCZRMYCIMY-UHFFFAOYSA-N
AS-16045
7-Chloro-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
ST067113
7-Chloro-6-fluoro-1-(2,4-difluorophenyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl
EC 422-360-1

MDL Number

MFCD01863285

Customs Code

29339980

FAQ

What are the physical and chemical properties of Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 100491-29-0)?

Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate is a crystalline compound with a molecular weight of approximately 460.04 g/mol. It is sparingly soluble in water but more soluble in organic solvents like ethanol and acetonitrile. The compound is chemically reactive, particularly towards nucleophiles, and is known for its stability under neutral to slightly acidic conditions.

How is Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 100491-29-0) typically synthesized?

Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate is typically synthesized through a multi-step process involving protective group chemistry, coupling reactions, and deprotection. The key steps include the formation of an intermediate from 2,4-difluorophenyl and a naphthyridine core, followed by chlorination and the introduction of the ethyl ester group.

What industries use Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 100491-29-0)?

Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate is primarily used in the pharmaceutical industry for the development of therapeutic agents. It has potential applications in sensor technology and semiconductor manufacturing due to its unique chemical structure and physicochemical properties.

What precautions should be taken when handling Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 100491-29-0)?

When handling Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, using spill kits or absorbent materials, and the area should be cleaned with a suitable solvent. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and safety measures.