104776-70-7 | Ethyl 5-acetylisoxazole-3-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	96%	in stock	$139.00	$97.00
5g	96%	in stock	$387.00	$271.00
10g	96%	in stock	$667.00	$467.00
25g	96%	in stock	$1,319.00	$923.00

Description

• Catalog Number: AE13373
• Chemical Name: Ethyl 5-acetylisoxazole-3-carboxylate
• CAS Number: 104776-70-7
• Molecular Formula: C8H9NO4
• Molecular Weight: 183.1614
• MDL Number: MFCD00085046
• SMILES: CCOC(=O)c1noc(c1)C(=O)C

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• XLogP3: 0.9

Upstream Synthesis Route

Ethyl 5-acetylisoxazole-3-carboxylate is a versatile compound commonly utilized in chemical synthesis for its unique properties and reactivity. As a key building block in organic chemistry, it serves as a crucial intermediate in the preparation of various pharmaceuticals, agrochemicals, and functional materials.One of the primary applications of Ethyl 5-acetylisoxazole-3-carboxylate is in the synthesis of heterocyclic compounds. Its structure containing both a carbonyl and an isoxazole ring allows for its incorporation into complex molecular frameworks, enabling the creation of diverse chemical structures with specific biological or physical properties.This compound is particularly useful in the design and development of new drug molecules due to its ability to impart desired pharmacokinetic and pharmacodynamic profiles. By modifying the functional groups attached to Ethyl 5-acetylisoxazole-3-carboxylate, chemists can fine-tune the properties of the resulting compounds, enhancing their biological activity or improving their stability.Moreover, Ethyl 5-acetylisoxazole-3-carboxylate can also be employed in the synthesis of novel materials for various applications, including organic electronics, catalysis, and molecular imaging. Its reactivity and compatibility with a wide range of other functional groups make it a valuable building block for creating custom-designed molecules with tailored properties.In summary, Ethyl 5-acetylisoxazole-3-carboxylate plays a critical role in chemical synthesis, offering chemists a powerful tool for the construction of complex organic compounds with diverse applications in pharmaceuticals, agrochemicals, and materials science.