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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:
Molecular Weight:
69.06
Beilstein/REAXYS Number:
103773
EC Number:
MDL number:
UNSPSC Code:
12352100
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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General description

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

pictograms

Flame

signalword

Danger

hcodes

pcodes

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

53.6 °F - closed cup

flash_point_c

12 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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
Cesira de Chiara et al.
Nature chemical biology, 16(6), 686-694 (2020-03-24)
The broad-spectrum antibiotic D-cycloserine (DCS) is a key component of regimens used to treat multi- and extensively drug-resistant tuberculosis. DCS, a structural analog of D-alanine, binds to and inactivates two essential enzymes involved in peptidoglycan biosynthesis, alanine racemase (Alr) and
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
Mingxing Wang et al.
Journal of molecular graphics & modelling, 84, 18-28 (2018-05-25)
Studies on human genetics have implicated the voltage-gated sodium channel Nav1.7 as an appealing target for the treatment of pain. In this study, we put forward a ligand-based pharmacophore for the first time, which was generated by a set of
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

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