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247316

Sigma-Aldrich

4-Chloromethyl-3,5-dimethylisoxazole

98%

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Empirical Formula (Hill Notation):
C6H8ClNO
CAS Number:
19788-37-5
Molecular Weight:
145.59
Beilstein:
110780
EC Number:
243-312-4
MDL number:
MFCD00003154
UNSPSC Code:
12352100
PubChem Substance ID:
24854862
NACRES:
NA.22

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

SMILES string

Cc1noc(C)c1CCl

InChI

1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3

InChI key

NIFAUKBQIAURIM-UHFFFAOYSA-N

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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

Pictograms

Exclamation mark
GHS07

Signal Word

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

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

新产品

Certificates of Analysis (COA)

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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)
An asymmetric isoxazole annulation
Marron BE, et al.
Journal of Heterocyclic Chemistry, 25(4), 1067-1070 (1988)

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