1123169-23-2 | Methyl 6-bromobenzo[d]isoxazole-3-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$30.00	$21.00
250mg	97%	in stock	$32.00	$23.00
10g	97%	in stock	$1,118.00	$782.00

Description

• Catalog Number: AE23042
• Chemical Name: Methyl 6-bromobenzo[d]isoxazole-3-carboxylate
• CAS Number: 1123169-23-2
• Molecular Formula: C9H6BrNO3
• Molecular Weight: 256.0528
• MDL Number: MFCD11858439
• SMILES: COC(=O)c1noc2c1ccc(c2)Br

Computed Properties

• Complexity: 236
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• XLogP3: 2.6

Upstream Synthesis Route

Methyl 6-bromobenzo[d]isoxazole-3-carboxylate is a versatile compound commonly used in chemical synthesis for the preparation of various pharmaceuticals, agrochemicals, and organic materials. With its unique structural properties, this compound serves as a key building block in the development of novel molecules and functional materials in the field of medicinal chemistry and drug discovery.In chemical synthesis, Methyl 6-bromobenzo[d]isoxazole-3-carboxylate can be employed as a starting material for the synthesis of biologically active compounds through diverse transformation reactions. Its strategic placement of the bromobenzo[d]isoxazole moiety facilitates efficient functionalization, enabling the introduction of different substituents and modifications to tailor the compound's properties for specific applications. This compound is particularly valued for its role in the construction of heterocyclic structures, which are prevalent in many bioactive molecules.Furthermore, the reactivity of Methyl 6-bromobenzo[d]isoxazole-3-carboxylate allows chemists to access a variety of chemical reactions such as nucleophilic substitutions, cross-coupling reactions, and heterocycle formations. These synthetic capabilities make it a valuable component in the design and synthesis of pharmaceutical intermediates, natural product derivatives, and molecular probes for biological studies.Overall, Methyl 6-bromobenzo[d]isoxazole-3-carboxylate plays a crucial role in chemical synthesis by serving as a versatile building block for the construction of complex molecules with potential applications in drug development, materials science, and other areas of chemical research.