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489689

Sigma-Aldrich

3-Methyl-5-isoxazoleacetic acid

98%

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About This Item

Empirical Formula (Hill Notation):
C6H7NO3
CAS Number:
Molecular Weight:
141.12
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

mp

101-104 °C (lit.)

functional group

carboxylic acid

SMILES string

Cc1cc(CC(O)=O)on1

InChI

1S/C6H7NO3/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)

InChI key

POEFJFLAFQWOTL-UHFFFAOYSA-N

General description

3-Methyl-5-isoxazoleacetic acid is a substituted isoxazole.

Application

3-Methyl-5-isoxazoleacetic acid may be used as a reagent in the solid phase synthesis of von Hippel-Lindau protein (VHL) ligands.[1] It may also be used to prepare (N-(4-chlorophenyl)-α-[[(4-chlorophenyl)amino]methylene]-3-methyl-5-isoxazoleacetamide).[2]

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Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Dennis L Buckley et al.
Journal of the American Chemical Society, 134(10), 4465-4468 (2012-03-01)
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