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CAS 16006-74-9

:

Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester

Description:
Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester, identified by CAS number 16006-74-9, is a complex organic compound characterized by its multi-functional structure. It features a benzoic acid moiety, which contributes to its acidic properties, and a pyrazole ring that is known for its biological activity. The presence of three methoxy groups enhances its lipophilicity and may influence its reactivity and solubility in organic solvents. The butyl group adds to the hydrophobic character of the molecule, potentially affecting its interaction with biological membranes. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its ester functionality suggests it could undergo hydrolysis under certain conditions, releasing the corresponding benzoic acid and pyrazole derivatives. Overall, the unique combination of functional groups in this compound may lead to diverse applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis.
Formula:C29H30N2O6
InChI:InChI=1S/C29H30N2O6/c1-5-6-17-23-27(32)30(21-13-9-7-10-14-21)31(22-15-11-8-12-16-22)28(23)37-29(33)20-18-24(34-2)26(36-4)25(19-20)35-3/h7-16,18-19H,5-6,17H2,1-4H3
InChI key:InChIKey=LAVQJQXAUQINRC-UHFFFAOYSA-N
SMILES:O(C(=O)C1=CC(OC)=C(OC)C(OC)=C1)C=2N(N(C(=O)C2CCCC)C3=CC=CC=C3)C4=CC=CC=C4
Synonyms:
  • Phenylbutazone trimethylgallic ester
  • 3,4,5-Trimethoxybenzoate de phenylbutazone [French]
  • LH-150
  • Phenylbutazone trimethoxybenzoate
  • Benzoic acid, 3,4,5-trimethoxy-, ester with 4-butyl-3-hydroxy-1,2-diphenyl-3-pyrazolin-5-one
  • Phenylbutazone trimethylgallate
  • Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester
  • Benzoic acid, 3,4,5-trimethoxy-, ester with 4-butyl-1,2-diphenyl-3-hydroxy-3-pyrazolin-5-one
  • Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester
  • 3,4,5-Trimethoxybenzoic acid ester with 4-butyl-1,2-diphenyl-3-hydroxy-3-pyrazolin-5-one
  • See more synonyms
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