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Isoxazole-5-carboxylic acid, 98%, Thermo Scientific Chemicals

$119.44 - $405.41

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
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Products 2
Catalog Number Mfr. No. Quantity Price Quantity  
Catalog Number Mfr. No. Quantity Price Quantity  
AAA1373903
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Thermo Scientific Chemicals
A1373903
1 g N/A
 
AAA1373906
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Thermo Scientific Chemicals
A1373906
5 g N/A
 
Description

Description

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

21169-71-1
113.072
MIIQJAUWHSUTIT-UHFFFAOYSA-N
2060599
C1=C(ON=C1)C(=O)O
C4H3NO3
MFCD00156151
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
1,2-oxazole-5-carboxylic acid

Specifications

21169-71-1
C4H3NO3
1 g
Slightly soluble in water.
C1=C(ON=C1)C(=O)O
113.072
113.07
Isoxazole-5-carboxylic acid
141°C to 144°C
MFCD00156151
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
MIIQJAUWHSUTIT-UHFFFAOYSA-N
1,2-oxazole-5-carboxylic acid
2060599
98%
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Safety and Handling

Safety and Handling

GHS H Statement
H315-H319-H335
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

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.

Warning

TSCA : No

Recommended Storage : Ambient temperatures

SDS
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RUO – Research Use Only