Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate | CAS No. 113046-72-3

Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Basic Information

CAS Number

113046-72-3

Molecular Formula

C14H11F2NO3S

Molecular Weight

311.31 g/mol

AD

Basic Physical Properties

Boiling Point

436.8°C at 760 mmHg

CCOC(=O)C1=C2N(C(S2)C)C3=CC(=C(C=C3C1=O)F)F

InChI

InChI=1S/C14H11F2NO3S/c1-3-20-14(19)11-12(18)7-4-8(15)9(16)5-10(7)17-6(2)21-13(11)17/h4-6H,3H2,1-2H3

InChIKey

UUJUEXKIHKGFTH-UHFFFAOYSA-N

LogP

3.0806000000000013

Topological Polar Surface Area

48.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

524

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 6,7-Difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic Acid Ethyl Ester
  • BCP13517
  • Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
  • A802721
  • 6,7-DIFLUORO-1-METHYL-4-OXO-4H-(1,3)THIAZETO(3,2-A)QUINOLINE-3-CARBOYLIC ACID ETHYL ESTER
  • UUJUEXKIHKGFTH-UHFFFAOYSA-N
  • ethyl 6,7-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
  • ethyl 6,7-bis(fluoranyl)-1-methyl-4-oxidanylidene-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
  • CS-0151800
  • MFCD08063939
  • AC-2015
  • D-SS-(N,N-DIMETHYLAMINO)ALANINE
  • ethyl 6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]-thiazeto[3,2-a]quinoline-3-carboxylate
  • Q-101931
  • Ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
  • FT-0642767
  • 6,7-Difluoro-1-methyl-4-oxo-4H-2-thia-8b-aza-cyclobuta[a]naphthalene-3
  • Ethyl 6,7-Difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
  • 113046-72-3
  • AKOS015901524
  • Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylate
  • F20555
  • 6,7-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid ethyl ester
  • C14H11F2NO3S
  • DS-15086
  • 113028-84-5
  • DTXSID10439044
  • SCHEMBL1699779
  • PL-11
  • Ethyl 6,7-Difluoro-1-Methyl-4-Oxo-1H,4H-(1,3)Thiazeto(3,2-a)Quinoline-3-Carboxylate
  • 6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid, ethyl ester

MDL Number

MFCD08063939

Customs Code

2933499090

FAQ

What are the physical and chemical properties of Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (CAS: 113046-72-3)?

Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is a crystalline compound with a molecular weight of 327.06 g/mol. It is slightly soluble in water and has good solubility in organic solvents like DMSO and DMF. It shows moderate reactivity towards nucleophiles and is a potential precursor in organic synthesis due to its functional groups. Additionally, it exhibits good stability under normal temperature and pressure conditions.

How is Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (CAS: 113046-72-3) typically synthesized?

Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is synthesized via a multi-step process starting from 6-chloro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid. It involves a fluoride substitution reaction, followed by alkylation with ethyl bromide. The synthesis typically yields a product with high purity and excellent selectivity, although careful control of reaction conditions is necessary to achieve high yield.

What industries use Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (CAS: 113046-72-3)?

Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate finds applications in the pharmaceutical industry as an intermediate in the synthesis of bioactive compounds. It is also used in the chemical industry for its potential as a precursor in organic synthesis. Its unique functional groups make it a valuable reagent in the development of new materials and pharmaceuticals.

What precautions should be taken when handling Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (CAS: 113046-72-3)?

When handling Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure to potential irritants. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be thoroughly washed down. Refer to the Safety Data Sheet (SDS) for detailed handling and storage information.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...