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Thermo Scientific Chemicals
Isoxazole-5-carboxylic acid, 98%
CAS: 21169-71-1 | C4H3NO3 | 113.072 g/mol
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化學識別
CAS21169-71-1
IUPAC Name1,2-oxazole-5-carboxylate
Molecular FormulaC4H2NO3
InChI KeyMIIQJAUWHSUTIT-UHFFFAOYSA-M
SMILES[O-]C(=O)C1=CC=NO1
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規格
規格表
規格表Appearance (Color)Pale cream to pale yellow to pale brown
Melting Point (clear melt)144.0-150.0?C
Assay (Aqueous acid-base Titration)≥97.5 to ≤102.5%
FormPowder
Reaction conditions were found to allow the exclusive formation of isoxazole-5-carboxylic acid derivatives by conjugate addition, in acidic medium, of hydroxylamine to β-alkoxyvinyl trichloromethyl ketone in synthesis and reactivity of isoxazoles. Isoxazole-5-carboxylic acid participates in the Synthesis and evaluation of acylguanidine FXa inhibitors. 1, 1, 1-trichloro-4-methoxy-3-penten-2-one postulated in the preparation of isoxazole-5-carboxylic acid from trichloroacetyl chloride, ethyl vinyl ether and hydroxylamine is developed in a fully saturated nitrogen atom theerefore there is no possibility of conjugation with 4- substituents.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
Reaction conditions were found to allow the exclusive formation of isoxazole-5-carboxylic acid derivatives by conjugate addition, in acidic medium, of hydroxylamine to β-alkoxyvinyl trichloromethyl ketone in synthesis and reactivity of isoxazoles. Isoxazole-5-carboxylic acid participates in the Synthesis and evaluation of acylguanidine FXa inhibitors. 1, 1, 1-trichloro-4-methoxy-3-penten-2-one postulated in the preparation of isoxazole-5-carboxylic acid from trichloroacetyl chloride, ethyl vinyl ether and hydroxylamine is developed in a fully saturated nitrogen atom theerefore there is no possibility of conjugation with 4- substituents.
Solubility
Slightly soluble in water.
Notes
Moisture Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents, reducing agents, bases.
Reaction conditions were found to allow the exclusive formation of isoxazole-5-carboxylic acid derivatives by conjugate addition, in acidic medium, of hydroxylamine to β-alkoxyvinyl trichloromethyl ketone in synthesis and reactivity of isoxazoles. Isoxazole-5-carboxylic acid participates in the Synthesis and evaluation of acylguanidine FXa inhibitors. 1, 1, 1-trichloro-4-methoxy-3-penten-2-one postulated in the preparation of isoxazole-5-carboxylic acid from trichloroacetyl chloride, ethyl vinyl ether and hydroxylamine is developed in a fully saturated nitrogen atom theerefore there is no possibility of conjugation with 4- substituents.
Solubility
Slightly soluble in water.
Notes
Moisture Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents, reducing agents, bases.
RUO – Research Use Only
General References:
- Pinho e Melo,; Teresa M.V.D. Recent Advances on the Synthesis and Reactivity of Isoxazoles. Current Organic Chemistry. 2005, 9(10), 925-958(34)
- Martins, Marcos A. P.; Cunico, Wilson; Pereira, Claudio M. P.; Sinhorin, Adilson P.; Flores, Alex F. C.; Bonacorso, Helio G.; Zanatta, Nilo. 4-Alkoxy-1,1,1-Trichloro-3-Alken-2-ones: Preparation and Applications in Heterocyclic Synthesis . Current Organic Chemistry. 2004, 1(4), 391-403(13).