104776-74-1 | Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$74.00	$52.00
1g	95%	in stock	$187.00	$131.00
5g	95%	in stock	$744.00	$521.00
25g	95%	in stock	$3,060.00	$2,142.00

Description

• Catalog Number: AD47874
• Chemical Name: Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate
• CAS Number: 104776-74-1
• Molecular Formula: C8H8BrNO4
• Molecular Weight: 262.0574
• MDL Number: MFCD00173773
• SMILES: CCOC(=O)c1noc(c1)C(=O)CBr

Computed Properties

• Complexity: 233
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• XLogP3: 1.7

Upstream Synthesis Route

In chemical synthesis, Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate can serve as a versatile building block for the preparation of various compounds. Its unique structure incorporating an isoxazole ring and a bromoacetyl moiety lends itself to a range of synthetic transformations and functional group interconversions. With its strategic placement of reactive functional groups, this compound can participate in diverse synthetic reactions such as nucleophilic substitutions, condensations, and cycloadditions. This enables the efficient construction of complex molecules with precise control over regioselectivity and stereochemistry. Additionally, the presence of the ethyl ester group provides a handle for further derivatization, allowing for the introduction of additional functionalities or modifications to tailor the compound for specific applications in drug discovery, materials science, and agrochemical research.