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CAS 2006277-98-9

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Methyl 3-[(4-chlorophenyl)hydroxymethyl]-4-isoxazolecarboxylate

Description:
Methyl 3-[(4-chlorophenyl)hydroxymethyl]-4-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a methyl ester functional group, contributing to its solubility in organic solvents. The presence of a hydroxymethyl group attached to a 4-chlorophenyl moiety enhances its potential for biological activity, possibly influencing its interaction with various biological targets. The chlorophenyl group may also impart specific electronic properties, affecting the compound's reactivity and stability. Methyl 3-[(4-chlorophenyl)hydroxymethyl]-4-isoxazolecarboxylate is of interest in medicinal chemistry and pharmacology, as compounds with isoxazole structures often exhibit diverse biological activities, including anti-inflammatory and antimicrobial properties. Its synthesis typically involves multi-step organic reactions, and its characterization can be performed using techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its structure and purity. As with any chemical substance, safety data and handling precautions should be observed due to potential hazards associated with its use.
Formula:C12H10ClNO4
InChI:InChI=1S/C12H10ClNO4/c1-17-12(16)9-6-18-14-10(9)11(15)7-2-4-8(13)5-3-7/h2-6,11,15H,1H3
InChI key:InChIKey=KKRUTVNQRBYLBS-UHFFFAOYSA-N
SMILES:C(O)(C=1C(C(OC)=O)=CON1)C2=CC=C(Cl)C=C2
Synonyms:
  • Methyl 3-[(4-chlorophenyl)hydroxymethyl]-4-isoxazolecarboxylate
  • 4-Isoxazolecarboxylic acid, 3-[(4-chlorophenyl)hydroxymethyl]-, methyl ester
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