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151637

Sigma-Aldrich

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:
288-14-2
Molecular Weight:
69.06
Beilstein:
103773
EC Number:
206-018-7
MDL number:
MFCD00003149
UNSPSC Code:
12352100
PubChem Substance ID:
24849154
NACRES:
NA.22

vapor density

2.4 (vs air)

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.

Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225

Precautionary Statements

P210

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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.
Afnan A Matti et al.
Bioorganic & medicinal chemistry letters, 23(21), 5931-5935 (2013-09-18)
Microwave accelerated reaction system (MARS) technology provided a good method to obtain selective and open isoxazole ligands that bind to and inhibit the Sxc- antiporter. The MARS provided numerous advantages, including: shorter time, better yield and higher purity of the
Nikolai V Rostovskii et al.
The Journal of organic chemistry, 82(1), 256-268 (2016-12-16)
4-Aminopyrrole-3-carboxylates and pyrazine-2-carboxylates were synthesized from 5-alkoxyisoxazoles and 1-sulfonyl-1,2,3-triazoles by tuning the Rh(II) catalyst and the reaction conditions. The reaction in chloroform at 100 °C under Rh
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