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HomeProduct name listIsoxazole

Isoxazole

  • CAS NO.:288-14-2
  • Empirical Formula: C3H3NO
  • Molecular Weight: 69.06
  • MDL number: MFCD00003149
  • EINECS: 206-018-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-06 15:28:16
Isoxazole Structural

What is Isoxazole?

Description

Isoxazole, an important class of heterocycles, is a five membered heterocyclic compound that exhibits various pharmacological actions. It is present in some natural products such as ibotenic acid and is also used as a foundation for several drugs such as the COX-2 inhibitor valdecoxib and anti-inflammatory drugs. Isoxazoles are largely applied in the area of pharmaceuticals and therapeutics, including insecticidal, antibacterial, antibiotic, antitumour, antifungal, antituberculosis, anticancer and ulcerogenic. Besides, it has a great effect on reducing blood glucose, eliminating pain, resisting inflammation, killing harmful bacteria, controlling and reducing the risk of HIV.

Chemical properties

A colorless liquid resembling pyridine. It is soluble in water at room temperature up to six times its volume.

The Uses of Isoxazole

Natural insecticide.

Definition

ChEBI: Isoxazole is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of isoxazoles.

Preparation

Isoxazoles can be synthesized by various methods, such as the 1,3-dipolar cycloaddition reaction of nitrile oxides with alkynes, the reaction of hydroxylamine with 1,3-diketones or propiolic acid derivatives, etc.
www.organic-chemistry.org

General Description

Isoxazole(288-14-2) are described as inhibitors of acetylcholinesterase (AChE). Isoxazole ligands bind to and inhibit the Sxc- antiporter.

Hazard

Narcotic and psychomimetic effects.

References

https://en.wikipedia.org/wiki/Isoxazole
https://pubchem.ncbi.nlm.nih.gov/compound/9254

Properties of Isoxazole

Melting point: -67.1°C
Boiling point: 93-95 °C(lit.)
Density  1.078 g/mL at 25 °C(lit.)
vapor density  2.4 (vs air)
refractive index  n20/D 1.427(lit.)
Flash point: 48 °F
storage temp.  2-8°C
solubility  167g/l
pka -2.0(at 25℃)
form  clear liquid
color  Colorless to Light yellow
BRN  103773
CAS DataBase Reference 288-14-2(CAS DataBase Reference)
NIST Chemistry Reference Isoxazole(288-14-2)
EPA Substance Registry System Isoxazole (288-14-2)

Safety information for Isoxazole

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
GHS Hazard Statements H225:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

Computed Descriptors for Isoxazole

InChIKey CTAPFRYPJLPFDF-UHFFFAOYSA-N

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