3209-71-0 | Isoxazole-3-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	96%	in stock	$10.00	$7.00
250mg	96%	in stock	$12.00	$9.00
1g	96%	in stock	$15.00	$11.00
5g	95%	in stock	$17.00	$12.00
10g	95%	in stock	$33.00	$24.00
25g	95%	in stock	$78.00	$55.00

Description

• Catalog Number: AB50211
• Chemical Name: Isoxazole-3-carboxylic acid
• CAS Number: 3209-71-0
• Molecular Formula: C4H3NO3
• Molecular Weight: 113.0715
• MDL Number: MFCD06738796
• SMILES: OC(=O)c1ccon1

Computed Properties

• Complexity: 104
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.2

Upstream Synthesis Route

1,2-Oxazole-3-carboxylic acid is a versatile compound that finds extensive application in chemical synthesis. Its unique structure and reactivity make it a valuable building block for the creation of various organic molecules. As a key intermediate in organic chemistry, 1,2-Oxazole-3-carboxylic acid serves as a precursor for the synthesis of pharmaceuticals, agrochemicals, and fine chemicals.In chemical synthesis, 1,2-Oxazole-3-carboxylic acid can undergo various transformations to introduce functional groups or modify its structure. It can be utilized as a starting material for the generation of heterocyclic compounds, which are essential in drug discovery and materials science. By participating in diverse chemical reactions such as esterification, amidation, and cyclization, this compound enables the formation of complex molecular structures with tailored properties.Furthermore, 1,2-Oxazole-3-carboxylic acid plays a crucial role in the development of novel materials and bioactive compounds. Its incorporation into synthetic pathways allows for the efficient production of compounds with desirable pharmacological, physical, or biological properties. Through strategic manipulation of its chemical reactivity, researchers can access a wide range of derivatives and analogs that exhibit enhanced activities or functionalities.Overall, the application of 1,2-Oxazole-3-carboxylic acid in chemical synthesis underscores its significance as a valuable tool for designing and preparing advanced organic molecules with diverse applications in the fields of medicine, agriculture, and materials science.

Literature

• Oxime-based click chemistry in the development of 3-isoxazolecarboxylic acid containing inhibitors of Yersinia pestis protein tyrosine phosphatase, YopH.

  ChemMedChem 20110801

• An unnatural amino acid that mimics phosphotyrosine.

  Chemical communications (Cambridge, England) 20100507

• Theoretical investigations of the photochemical isomerizations of indoxazene and isoxazole.

  The Journal of organic chemistry 20090821

• Application of the Ugi reaction for the one-pot synthesis of uracil polyoxin C analogues.

  The Journal of organic chemistry 20090703