Isoxazole-5-carboxylic acid, 98%

Description

CAS: 21169-71-1 | C4H3NO3 | 113.072 g/mol

Reaction conditions were found to allow the exclusive formation of isoxazole-5-carboxylic acid derivatives by conjugate addition, in acidic medium, of hydroxylamine to β-alkoxyvinyl trichloromethyl ketone in synthesis and reactivity of isoxazoles. Isoxazole-5-carboxylic acid participates in the Synthesis and evaluation of acylguanidine FXa inhibitors. 1, 1, 1-trichloro-4-methoxy-3-penten-2-one postulated in the preparation of isoxazole-5-carboxylic acid from trichloroacetyl chloride, ethyl vinyl ether and hydroxylamine is developed in a fully saturated nitrogen atom theerefore there is no possibility of conjugation with 4- substituents.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Reaction conditions were found to allow the exclusive formation of isoxazole-5-carboxylic acid derivatives by conjugate addition, in acidic medium, of hydroxylamine to β-alkoxyvinyl trichloromethyl ketone in synthesis and reactivity of isoxazoles. Isoxazole-5-carboxylic acid participates in the Synthesis and evaluation of acylguanidine FXa inhibitors. 1, 1, 1-trichloro-4-methoxy-3-penten-2-one postulated in the preparation of isoxazole-5-carboxylic acid from trichloroacetyl chloride, ethyl vinyl ether and hydroxylamine is developed in a fully saturated nitrogen atom theerefore there is no possibility of conjugation with 4- substituents.

Solubility
Slightly soluble in water.

Notes
Moisture Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents, reducing agents, bases.

Specifications

Chemical Identifiers

• CAS: 21169-71-1
• Molecular Formula: C4H3NO3
• Molecular Weight (g/mol): 113.072
• MDL Number: MFCD00156151
• InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N
• Synonym: isoxazole-5-carboxylic acid, 5-isoxazolecarboxylic acid, isoxazole-5-carboxylicacid, 5-carboxyisoxazole, pubchem8643, isoxazole-5-carboxylic, 5-carboxy-1,2-oxazole, isoxazole 5-carboxylic acid, ksc207s2h
• PubChem CID: 2060599
• IUPAC Name: 1,2-oxazole-5-carboxylic acid
• SMILES: C1=C(ON=C1)C(=O)O

• Melting Point: 141°C to 144°C
• Quantity: 5 g
• Solubility Information: Slightly soluble in water.
• Formula Weight: 113.07
• Percent Purity: 98%
• Chemical Name or Material: Isoxazole-5-carboxylic acid

Safety and Handling

Hazard Category	Warning
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	GHS P Statement P261-P280-P305+P351+P338-P304+P340-P405-P501a Avoid breathing dust/fume/gas/mist/vapors/spray. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Store locked up. Dispose of contents/container in accordance with local/regional/national/international regulations.
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only