5-Phenylisoxazole-3-propionic acid

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5-Phenylisoxazole-3-propionic acid Basic information
Product Name:5-Phenylisoxazole-3-propionic acid
Synonyms:JR-6934, 3-(5-Phenylisoxazol-3-yl)propanoic acid, 97%;3-(5-Phenyl-isoxazol-3-yl)-propionic acid;3-Isoxazolepropanoic acid, 5-phenyl-;5-Phenyl-3-isoxazolepropanoic Acid;[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol;5-Phenylisoxazole-3-propionic acid
CAS:3919-86-6
MF:C12H11NO3
MW:217.22
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Mol File:3919-86-6.mol
5-Phenylisoxazole-3-propionic acid Structure
5-Phenylisoxazole-3-propionic acid Chemical Properties
Melting point 163-165 °C
Boiling point 420.9±30.0 °C(Predicted)
density 1.243±0.06 g/cm3(Predicted)
form solid
pka4.26±0.10(Predicted)
InChI1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3
InChIKeyQJPGMVFNIWHOIY-UHFFFAOYSA-N
SMILESCc1c(CO)cnn1-c2ccc(F)cc2
Safety Information
Hazard Codes Xn
Risk Statements 22
Storage Class11 - Combustible Solids
MSDS Information
5-Phenylisoxazole-3-propionic acid Usage And Synthesis
Uses5-Phenyl-3-isoxazolepropanoic acid is used as a reactant in the preparation of acetylenic ketones from acid anhydrides and sodium phenylacetylene.
5-Phenylisoxazole-3-propionic acid Preparation Products And Raw materials
Raw materials5-Hexynoic acid, 4-oxo-6-phenyl--->sodium phenylacetylide
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