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CAS 774605-58-2

:

3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolecarboxylic acid

Description:
3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolecarboxylic acid, with the CAS number 774605-58-2, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features a dichlorophenyl group, indicating the presence of two chlorine atoms on a phenyl ring, which contributes to its biological activity and lipophilicity. The isoxazolecarboxylic acid moiety suggests that it possesses acidic properties, likely influencing its solubility and reactivity in various environments. The presence of the isopropyl group (1-methylethyl) enhances its steric bulk, potentially affecting its interaction with biological targets. This compound is of interest in medicinal chemistry, particularly for its potential applications in pharmaceuticals, possibly as an anti-inflammatory or analgesic agent. Its specific characteristics, such as melting point, solubility, and stability, would depend on the conditions under which it is studied or utilized.
Formula:C13H11Cl2NO3
InChI:InChI=1S/C13H11Cl2NO3/c1-6(2)12-10(13(17)18)11(16-19-12)9-7(14)4-3-5-8(9)15/h3-6H,1-2H3,(H,17,18)
InChI key:InChIKey=CJHBOPAQVKEDHQ-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C(=NOC1C(C)C)C2=C(Cl)C=CC=C2Cl
Synonyms:
  • 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-(1-methylethyl)-
  • 3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolecarboxylic acid
  • Benzo[d]isoxazol-3-yl-acetic acid
  • 3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylic acid
  • 3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid
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