Ethyl 5-bromoisoxazole-3-carboxylate


Chemical Name: Ethyl 5-bromoisoxazole-3-carboxylate
CAS Number: 1914946-33-0
Product Number: AG01EG3H(AG01EG3H)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
220.022g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
218.953g/mol
Monoisotopic Mass:
218.953g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
153
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



Ethyl 5-bromoisoxazole-3-carboxylate is a versatile compound that finds extensive application in chemical synthesis. It serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique structural properties and reactivity.With its functional groups and reactivity, Ethyl 5-bromoisoxazole-3-carboxylate is commonly used as a precursor in the synthesis of complex molecules. Its bromo substituent allows for selective functionalization reactions, enabling the introduction of diverse chemical moieties onto the isoxazole ring. This versatility makes Ethyl 5-bromoisoxazole-3-carboxylate a valuable tool in the development of novel compounds with specific biological or physical properties.Furthermore, Ethyl 5-bromoisoxazole-3-carboxylate can undergo various transformations such as cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed processes to build more intricate molecular structures. Its role in chemical synthesis extends to the creation of intermediates for drug discovery, development of specialty materials, and advancement of chemical research.Overall, Ethyl 5-bromoisoxazole-3-carboxylate serves as a fundamental building block in the realm of organic chemistry, enabling the synthesis of diverse compounds with potential applications across multiple industries.