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151637

Sigma-Aldrich

Isoxazole

99%

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Empirical Formula (Hill Notation):
C3H3NO
CAS Number:
Molecular Weight:
69.06
Beilstein:
103773
EC Number:
MDL number:
PubChem Substance ID:
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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This Item
636231900572230138
Isoxazole 99%

Sigma-Aldrich

151637

Isoxazole

Oxazole 98%

Sigma-Aldrich

230138

Oxazole

form

liquid

form

-

form

powder or crystals

form

-

refractive index

n20/D 1.427 (lit.)

refractive index

n20/D 1.4980 (lit.)

refractive index

-

refractive index

n20/D 1.425 (lit.)

bp

93-95 °C (lit.)

bp

167-168 °C (lit.)

bp

-

bp

69-70 °C (lit.)

density

1.078 g/mL at 25 °C (lit.)

density

1.362 g/mL at 25 °C (lit.)

density

-

density

1.05 g/mL at 25 °C (lit.)

storage temp.

2-8°C

storage temp.

-

storage temp.

-

storage temp.

-

General description

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

Pictograms

Flame

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
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
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
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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