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%
Quality Level
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.)
SMILES string
c1cocn1
InChI
1S/C3H3NO/c1-2-5-3-4-1/h1-3H
InChI key
ZCQWOFVYLHDMMC-UHFFFAOYSA-N
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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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
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
Systematic scientific study of 1, 3-oxazole derivatives as a useful lead for pharmaceuticals: A review
Joshi S, et al.
The pharma innovation journal, 6, 109-109 (2017)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 230138-1G | 04061838782397 |
| 230138-10G | 04061838782380 |