151637
Isoxazole
99%
Synonym(s):
1,2-Oxazole, 1-Oxa-2-azacyclopentadiene, 2-Azafuran
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About This Item
Empirical Formula (Hill Notation):
C3H3NO
CAS Number:
Molecular Weight:
69.06
Beilstein:
103773
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
vapor density
2.4 (vs air)
Quality Level
Assay
99%
form
liquid
refractive index
n20/D 1.427 (lit.)
bp
93-95 °C (lit.)
density
1.078 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
c1cnoc1
InChI
1S/C3H3NO/c1-2-4-5-3-1/h1-3H
InChI key
CTAPFRYPJLPFDF-UHFFFAOYSA-N
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General description
Isoxazole are described as inhibitors of acetylcholinesterase (AChE). Isoxazole ligands bind to and inhibit the Sxc- antiporter.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Liq. 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
53.6 °F - closed cup
Flash Point(C)
12 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Margarita Gutiérrez et al.
The Journal of pharmacy and pharmacology, 65(12), 1796-1804 (2013-11-05)
Inhibition of acetylcholinesterase (AChE) is a common treatment for early stages of Alzheimer's disease. In this study, nine isoxazoles derivatives were tested for their in-vitro AChE activity. The molecular docking showed the interaction of the compounds with the active site.
Adam A Wallace et al.
The journal of physical chemistry. A, 125(1), 317-326 (2020-12-29)
Electron capture by the σ* LUMO of isoxazole triggers the dissociation of the O-N bond and the opening of the ring. Photodetachment of the resulting anion accesses a neutral structure, in which the O· and ·N bond fragments interact through
Marina N Semenova et al.
ACS combinatorial science, 20(12), 700-721 (2018-11-20)
A series of both novel and reported combretastatin analogues, including diarylpyrazoles, -isoxazoles, -1,2,3-triazoles, and -pyrroles, were synthesized via improved protocols to evaluate their antimitotic antitubulin activity using in vivo sea urchin embryo assay and a panel of human cancer cells.
Sahaya Asirvatham et al.
Anti-inflammatory & anti-allergy agents in medicinal chemistry, 14(2), 128-137 (2015-08-13)
A series of newer 3-(4'-methoxyphenyl)-5-substituted phenylisoxazoles derivatives have been synthesized by reacting hydroxylamine hydrochloride with chalcones. The chalcones were formed by reacting different aromatic aldehydes with 4-methoxyacetophenone in presence of aqueos potassium hydroxide (KOH). The purity of all the synthesized
Adam A Wallace et al.
The journal of physical chemistry. A, 124(38), 7768-7775 (2020-08-28)
We report a photoelectron imaging study of gas-phase deprotonation of isoxazole in which spectroscopic data are compared to the results of electronic structure calculations for the anion products corresponding to each of three possible deprotonation sites. The observed photoelectron spectra
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