3405-77-4 | 5-Methylisoxazole-3-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$13.00	$9.00
10g	98%	in stock	$16.00	$11.00
25g	98%	in stock	$19.00	$14.00
100g	98%	in stock	$75.00	$52.00

Description

• Catalog Number: AB69442
• Chemical Name: 5-Methylisoxazole-3-carboxylic acid
• CAS Number: 3405-77-4
• Molecular Formula: C5H5NO3
• Molecular Weight: 127.0981
• MDL Number: MFCD01318162
• SMILES: Cc1cc(no1)C(=O)O

Computed Properties

• Complexity: 125
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.7

Upstream Synthesis Route

5-Methyl-3-isoxazolecarboxylic acid is a valuable building block in chemical synthesis due to its ability to participate in various reactions and form complex molecular structures. This compound is commonly used as a key intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its versatile nature allows for the introduction of functional groups and modifications necessary for the synthesis of advanced compounds. In organic chemistry, 5-Methyl-3-isoxazolecarboxylic acid serves as a precursor in the synthesis of bioactive molecules and plays a crucial role in the development of new materials with specific properties. Its strategic placement within synthetic pathways enables chemists to design efficient routes for the construction of diverse chemical entities, highlighting its importance in modern chemical research and development.

Literature

• Metabolism studies of a small-molecule tumor necrosis factor-alpha (TNF-α) inhibitor, UTL-5b (GBL-5b).

  European journal of drug metabolism and pharmacokinetics 20120601

• Diaqua-bis-(5-methyl-1,2-oxazole-3-car-box-yl-ato-κN,O)cobalt(II) dihydrate.

  Acta crystallographica. Section E, Structure reports online 20120101

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101