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(4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate

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Identification
Molecular formula
C29H28N2O6
CAS number
.
IUPAC name
(4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate
State
State

At room temperature, this compound is generally in the form of a solid. It may form crystals depending on its purity and the conditions of crystallization.

Melting point (Celsius)
156.00
Melting point (Kelvin)
429.15
Boiling point (Celsius)
545.00
Boiling point (Kelvin)
818.15
General information
Molecular weight
487.57g/mol
Molar mass
487.5700g/mol
Density
1.2340g/cm3
Appearence

This compound typically appears as a crystalline solid with a white to off-white color, often dependent on the level of purity and the presence of any impurities.

Comment on solubility

Solubility of (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate

The solubility of (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate can be examined through various factors that influence its behavior in solvents.

Key Factors Influencing Solubility

  • Polarity of the Solvent: This compound exhibits moderate polarity due to the presence of both hydrophobic and hydrophilic functional groups. Therefore, it is more likely to dissolve in polar solvents such as methanol or ethanol, and less so in nonpolar solvents like hexane.
  • Hydrogen Bonding: The trimethoxy groups in the structure may engage in hydrogen bonding, enhancing solubility in polar environments, while the bulky butyl and diphenyl substituents may hinder solubility due to steric factors.
  • Temperature Considerations: Generally, increasing temperature can improve the solubility of organic compounds. Thus, this compound may show improved solubility at elevated temperatures.

In summary, the solubility of (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate is influenced by its molecular structure and the nature of the solvent. For effective applications, considering solvent choice and environmental conditions is crucial, as they can dramatically alter the compound's solubility profile. As such, "understanding solubility is essential for optimizing its use in various chemical processes."

Interesting facts

Interesting Facts about (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate

This unique compound is a fascinating example of a multi-functional organic molecule, primarily recognized for its diverse applications in the fields of pharmaceuticals and materials science. Here are some key points that highlight its significance:

  • Diverse Chemical Structure: The presence of the pyrazole ring combined with a benzoate moiety showcases its structural complexity, which is often associated with enhanced biological properties.
  • Pharmacological Potential: Compounds like this one have drawn attention for their potential in drug development, particularly in treating inflammatory diseases, due to their ability to modulate biochemical pathways.
  • Substituent Influence: The trimethoxy groups on the benzene ring are notable for increasing lipophilicity, which may influence the compound's activity profile and its interaction with biological systems.
  • Research Implications: Studies have shown that derivatives of pyrazole exhibit a broad spectrum of biological activities, including anti-cancer and anti-diabetic effects. This compound could be a valuable candidate for such investigations.
  • Antioxidant Properties: Some pyrazole derivatives are known for their ability to scavenge free radicals, contributing to their potential therapeutic role as antioxidants.

In summary, the compound (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate represents a rich area for chemical exploration. Its unique structure and potential applications reflect the ongoing research into the multifaceted roles of pyrazole-based compounds in modern chemistry.

Synonyms
Phenylbutazone trimethylgallate
16006-74-9
Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester
DTXSID40166795
DTXCID4089286
4-butyl-5-oxo-1,2-diphenyl-3-pyrazolin-2-yl (3,4,5-trimethoxybenzoate)
240-138-0
4-Butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 3,4,5-trimethoxybenzoate
Megazone
LH150
4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
EINECS 240-138-0
Phenylbutazone trimethoxybenzoate
Phenylbutazone trimethylgallic ester
LH 150
LH-150
BRN 0870070
3,4,5-Trimethoxybenzoate de phenylbutazone [French]
3,4,5-Trimethoxybenzoate de phenylbutazone
3,4,5-Trimethoxybenzoic acid ester with 4-butyl-1,2-diphenyl-3-hydroxy-3-pyrazolin-5-one
orb1701800
SCHEMBL30051722
LAVQJQXAUQINRC-UHFFFAOYSA-N
AKOS040747270
3-Pyrazolin-5-one, 4-butyl-3-hydroxy-1,2-diphenyl-, 3,4,5-trimethoxybenzoate (ester)
Benzoic acid, 3,4,5-trimethoxy-, ester with 4-butyl-1,2-diphenyl-3-hydroxy-3-pyrazolin-5-one
CS-0083993
NS00025212
4-butyl-5-oxo-1,2-diphenyl-3-pyrazolin- 2-yl (3,4,5-trimethoxybenzoate)