247316
4-Chloromethyl-3,5-dimethylisoxazole
98%
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About This Item
Empirical Formula (Hill Notation):
C6H8ClNO
CAS Number:
Molecular Weight:
145.59
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
243-312-4
Beilstein/REAXYS Number:
110780
MDL number:
Assay:
98%
Form:
liquid
InChI key
NIFAUKBQIAURIM-UHFFFAOYSA-N
InChI
1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
SMILES string
Cc1noc(C)c1CCl
assay
98%
form
liquid
refractive index
n20/D 1.486 (lit.)
bp
87-88 °C/8 mmHg (lit.)
density
1.173 g/mL at 25 °C (lit.)
storage temp.
2-8°C
General description
4-Chloromethyl-3,5-dimethylisoxazole participates in asymmetric isoxazole annulation reaction.
Application
4-Chloromethyl-3,5-dimethylisoxazole has been used in the preparation of:
- 4(3-oxoalkyl)isoxazole
- (E)-3,5-dimethyl-4-(2-(thiophene-3-yl)vinyl)isoxazole
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
204.8 °F - closed cup
flash_point_c
96 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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An asymmetric isoxazole annulation
Marron BE, et al.
Journal of Heterocyclic Chemistry, 25(4), 1067-1070 (1988)
Transformation of 4-(3-oxoalkyl) isoxazoles into pyridines.
Ohashi M, et al.
Journal of the American Chemical Society, 89(21), 5460-5461 (1967)
Supramolecular assembly in side-chain conjugated thiophene copolymers.
Ananthakrishnan SJ, et al.
Royal Society of Chemistry Advances, 3(22), 8331-8340 (2013)
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