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Merck
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Key Documents

151637

Sigma-Aldrich

Isoxazole

99%

동의어(들):

1,2-Oxazole, 1-Oxa-2-azacyclopentadiene, 2-Azafuran

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About This Item

실험식(Hill 표기법):
C3H3NO
CAS Number:
Molecular Weight:
69.06
Beilstein:
103773
EC Number:
MDL number:
UNSPSC 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

2.4 (vs air)

분석

99%

형태

liquid

refractive index

n20/D 1.427 (lit.)

bp

93-95 °C (lit.)

density

1.078 g/mL at 25 °C (lit.)

저장 온도

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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관련 카테고리

일반 설명

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

픽토그램

Flame

신호어

Danger

유해 및 위험 성명서

예방조치 성명서

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

개인 보호 장비

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


시험 성적서(COA)

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문서 라이브러리 방문

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
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.
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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