ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate


Chemical Name: ethyl 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CAS Number: 954230-39-8
Product Number: AG006DE8(AGN-PC-03NRRJ)
Synonyms:
MDL No:
Molecular Formula: C13H12FNO3
Molecular Weight: 249.2377

Identification/Properties


Properties
MP:
58-59℃
BP:
370.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
249.241g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
249.08g/mol
Monoisotopic Mass:
249.08g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
292
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

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate is a versatile compound commonly used in chemical synthesis as a key intermediate for the preparation of various pharmaceuticals and agrochemicals. Its unique structure makes it a valuable building block in organic chemistry, allowing for the synthesis of complex molecules with diverse biological activities.In chemical synthesis, Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate can serve as a precursor for the synthesis of heterocyclic compounds and derivatives. This compound's 4-carboxylate ester group provides a reactive site for functionalization, enabling the attachment of different substituents to modulate the compound's properties. Additionally, the presence of the isoxazole ring and the fluorophenyl group offers specific reactivity and pharmacological potential, making it a valuable tool for designing new compounds with desired properties.Moreover, Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate can be used in the development of novel drugs, pesticides, and other bioactive molecules. By incorporating this compound into molecular frameworks, chemists can explore its stereochemical and structural effects on biological targets, leading to the discovery of potential therapeutic agents or agricultural chemicals with improved efficacy and selectivity.In summary, Ethyl 3-(4-fluorophenyl)-5-methylisoxazole-4-carboxylate plays a crucial role in chemical synthesis by enabling the construction of diverse molecules with biological relevance. Its applications extend to drug discovery, agrochemical research, and the development of functional materials, showcasing its significance in modern organic chemistry practices.