230138
Oxazole
98%
Synonym(s):
1,3-Oxazole, 3-Azafuran
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About This Item
Empirical Formula (Hill Notation):
C3H3NO
CAS Number:
Molecular Weight:
69.06
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-020-8
Beilstein/REAXYS Number:
103851
MDL number:
Assay:
98%
InChI key
ZCQWOFVYLHDMMC-UHFFFAOYSA-N
InChI
1S/C3H3NO/c1-2-5-3-4-1/h1-3H
SMILES string
c1cocn1
assay
98%
refractive index
n20/D 1.425 (lit.)
bp
69-70 °C (lit.)
mp
−87-−84 °C (lit.)
density
1.05 g/mL at 25 °C (lit.)
Quality Level
Related Categories
General description
Oxazole is the parent molecule for a large class of heterocyclic aromatic compounds. It is a weak base that can be used as an electron-deficient diene in the Diels-Alder cycloaddition reaction. It undergoes nitration, sulfonation, halogenation, Friedel-Crafts alkylation, and acylation.
Application
Oxazole can be used:
- in the intramolecular Diels–Alder (IMDA) cycloaddition reaction to synthesis natural products
- as a precursor in the ring opening, nucleophilic addition and recyclization as well as [2 + 2], [3 + 2], and [4 + 2] cycloaddition reactions
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
66.2 °F - closed cup
flash_point_c
19 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Maryna V Kachaeva et al.
Computational biology and chemistry, 74, 294-303 (2018-04-27)
Based on modern literature data about biological activity of E7010 derivatives, a series of new sulfonamides as potential anticancer drugs were rationally designed by QSAR modeling methods Сlassification learning QSAR models to predict the tubulin polymerization inhibition activity of novel
Haseen Ahmad et al.
European journal of medicinal chemistry, 208, 112759-112759 (2020-09-05)
Oxazole derivatives are important medicinal compounds which are inhibitors of various enzymes such as NPP1, NPP2, NPP3, tyrosine kinase, dipeptidyl-peptidase IV, cyclooxygenase-2, and protein tyrosine phosphatase. In this study, an extensive range of new biologically active biphenyl oxazole derivatives was
Bo Pang et al.
Journal of the American Chemical Society, 142(25), 10931-10935 (2020-06-09)
Nonribosomal peptide synthetase (NRPS) oxidase (Ox) domains oxidize protein-bound intermediates to install crucial structural motifs in bioactive natural products. The mechanism of this domain remains elusive. Here, by studying indigoidine synthetase, a single-module NRPS involved in the biosynthesis of indigoidine
Fengjiao Zhang et al.
Toxicological sciences : an official journal of the Society of Toxicology, 140(1), 118-134 (2014-04-23)
The generation of reactive oxygen species (ROS) has been implicated in the pathogenesis of renal ischemia/reperfusion injury, and many other pathological conditions. DNA strand breaks caused by ROS lead to the activation of poly(ADP-ribose)polymerase-1 (PARP-1), the excessive activation of which
Lori M Culberson et al.
Physical chemistry chemical physics : PCCP, 16(9), 3964-3972 (2014-01-22)
Bond breaking is a challenging problem in both experimental and theoretical chemistry, due to the transient nature and multi-configurational electronic structure of dissociating molecules. We use anion photodetachment to probe the diradical interactions in the ring-opening reaction of oxazole and
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