43228-53-1

Basic information

• Product Name: isoxazolin-5-one
• Synonyms: isoxazolin-5-one
• CAS NO: 43228-53-1
• Molecular Formula: C3H3NO2
• Molecular Weight: 85.06
• Mol File: 43228-53-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 111.9°Cat760mmHg
• Flash Point: 21.5°C
• Appearance: /
• Density: 1.296g/cm³
• Vapor Pressure: 22.3mmHg at 25°C
• Refractive Index: 1.476
• PKA: -6.07±0.20(Predicted)
• CAS DataBase Reference: isoxazolin-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: isoxazolin-5-one(43228-53-1)
• EPA Substance Registry System: isoxazolin-5-one(43228-53-1)

Safety Data

• Hazardous Substances Data: 43228-53-1(Hazardous Substances Data)

Usage

Definition

ChEBI: An isoxazole that is 3-isoxazoline substituted at position 5 by an oxo group.

InChI:InChI=1/C3H3NO2/c5-3-1-2-4-6-3/h1-2,4H

Upstream product

• 52096-02-3 ethyl 3-(hydroxyimino)propanoate 

Downstream Products

• 59476-61-8 β-(isoxazolin-5-on-2-yl)-L-alanine 
• 127607-88-9 TAN 950A 

Relevant articles and documents

Biosynthesis of isoxazolin-5-one and 3-nitropropanoic acid containing glucosides in juvenile Chrysomelina

Stable-isotope-labeled precursors were used to establish the biosynthetic pathway leading from β-alanine towards isoxazolin-5-one glucoside 1 and its 3-nitropropanoate (3-NPA) ester 2 in Chrysomelina larvae. Both structural elements originate from sequestered plant-derived β-alanine or from propanoyl-CoA that is derived from the degradation of some essential amino acids, e.g. valine. β-Alanine is converted into 3-NPA and isoxazolinone 5 by consecutive oxidations of the amino group of β-Ala. Substituting the diphospho group of α-UDP-glucose with 5 generates the isoxazolin-5-one glucoside 1, which serves in the circulating hemolymph of the larva as a platform for esterification with 3-nitropropanoyl-CoA. The pathway was validated with larvae of Phaedon cochleariae, Chrysomela populi as well as Gastrophysa viridula.