ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate


Chemical Name: ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CAS Number: 94242-51-0
Product Number: AG00GXHH(AGN-PC-0JSIC9)
Synonyms:
MDL No:
Molecular Formula: C15H12F3NO3
Molecular Weight: 311.2559

Identification/Properties


Computed Properties
Molecular Weight:
311.26g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
311.077g/mol
Monoisotopic Mass:
311.077g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
520
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The Ethyl 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate is a versatile compound that finds significant application in chemical synthesis. Its unique molecular structure and functional groups make it a valuable building block for the synthesis of various organic compounds. The presence of the cyclopropyl, trifluoro, and carboxylate moieties in this compound imparts distinct reactivity, allowing for the formation of complex molecules with high precision and efficiency.In chemical synthesis, Ethyl 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate serves as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its cyclopropyl group can undergo ring-opening reactions to introduce new functionalities, while the trifluoro group enhances the compound's lipophilicity and bioavailability. The carboxylate moiety enables the compound to participate in various coupling reactions for the creation of diverse molecular structures.Overall, the Ethyl 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate plays a crucial role in the synthesis of advanced organic molecules with tailored properties, making it a valuable tool for chemists and researchers working in the field of drug discovery, materials science, and chemical manufacturing.