Methyl 5-(4-Pyridyl)isoxazole-3-carboxylate


Chemical Name: Methyl 5-(4-Pyridyl)isoxazole-3-carboxylate
CAS Number: 1375064-44-0
Product Number: AG0013E0(AGN-PC-0WADYX)
Synonyms:
MDL No: MFCD22192333
Molecular Formula: C10H8N2O3
Molecular Weight: 204.1821

Identification/Properties


Computed Properties
Molecular Weight:
204.185g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
204.053g/mol
Monoisotopic Mass:
204.053g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
229
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 5-(4-pyridyl)isoxazole-3-carboxylate is a versatile compound that is commonly used in chemical synthesis for the preparation of various pharmaceuticals, agrochemicals, and functional materials. This compound serves as a valuable building block in the synthesis of heterocyclic compounds, which are important structural motifs found in many biologically active compounds.In chemical synthesis, Methyl 5-(4-pyridyl)isoxazole-3-carboxylate can participate in a variety of reactions such as nucleophilic substitution, acylation, and cycloaddition reactions to introduce the 4-pyridyl and isoxazole functionalities into target molecules. These reactions can be carried out under various conditions to selectively functionalize specific positions on the molecule, allowing for the creation of diverse chemical structures with tailored properties.The incorporation of Methyl 5-(4-pyridyl)isoxazole-3-carboxylate into complex molecules enables researchers to access compounds with potent biological activities, such as antimicrobial, antiviral, and anticancer properties. Additionally, the presence of the isoxazole and pyridine moieties in the final products can enhance their interactions with biological targets, leading to improved pharmacological profiles.Overall, the application of Methyl 5-(4-pyridyl)isoxazole-3-carboxylate in chemical synthesis offers a strategic approach to the construction of structurally diverse and biologically relevant compounds, making it a valuable tool for medicinal and materials chemistry research.