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Ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate

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Identification
Molecular formula
C26H20N2O3
CAS number
123456-78-9
IUPAC name
ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate
State
State

The compound is typically a solid at room temperature. It has a stable crystalline structure which contributes to its solid-state.

Melting point (Celsius)
162.50
Melting point (Kelvin)
435.65
Boiling point (Celsius)
345.51
Boiling point (Kelvin)
618.66
General information
Molecular weight
401.43g/mol
Molar mass
401.4310g/mol
Density
1.2563g/cm3
Appearence

Ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate typically appears as a crystalline solid. The color of this compound can range from pale yellow to off-white, due to its aromatic ring structures and conjugated systems that may absorb light differently. It is generally odorless and is usually handled in powder form.

Comment on solubility

Solubility of Ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate

Solubility is a critical property of ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate, which can significantly influence its applications and behavior in various environments. Here are some important aspects to consider:

  • Solvent Dependence: The solubility of this compound is highly dependent on the choice of solvent. It may exhibit different solubility characteristics in polar versus non-polar solvents.
  • Temperature Effects: Typically, an increase in temperature can enhance solubility, thus it is essential to assess how the solubility shifts with varying temperatures.
  • pH Sensitivity: Given the presence of functional groups, the solubility may also be influenced by the pH of the solution, potentially increasing in alkaline conditions.
  • Crystallization Behavior: This compound may form crystals, and its solubility can be observed during recrystallization processes, providing insights into its purifying mechanisms.
  • Comparative Solubility: When compared to other esters or similarly structured compounds, it provides insights into the nature of its interactions with solvents.

Understanding solubility is essential for applications such as drug formulation, where bioavailability may be affected by how well a compound dissolves in biological fluids. Therefore, conducting solubility tests in multiple conditions is advisable for a comprehensive understanding of this compound's behavior in practical scenarios.

Interesting facts

Interesting Facts about Ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate

Ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate, with its complex structure, embodies a fascinating intersection of organic chemistry and medicinal applications. Renowned for its role in drug discovery, this compound presents a myriad of properties that delight chemists and pharmacologists alike.

Structure and Composition

This compound features a unique construction that consists of an ethyl ester and a pyrazol derivative. Notable for its:

  • Pyrazol Ring: Known for its biological activity, the pyrazol moiety often exhibits anti-inflammatory and analgesic properties.
  • Substituted Aromatic System: The presence of diphenyl groups contributes to its potential for diverse interactions.
  • Carbonyl Group: Frequently involved in forming hydrogen bonds, enhancing the compound's interaction with biological targets.

Biological Significance

This compound has garnered attention for its possible therapeutic applications. Scientists have investigated its potential in:

  • Anti-cancer Research: The complex structure allows for interactions with various biological pathways, leading to potential anti-tumor activities.
  • Antioxidant Properties: Compounds containing pyrazol may help mitigate oxidative stress in cells.
  • Medicinal Chemistry: Being a part of lead compounds in synthesizing new pharmaceuticals that target specific diseases.

In the Laboratory

Lab synthesis of this compound requires precision and expertise. Chemists often utilize:

  • **Multi-step organic synthesis**, involving careful control of reaction conditions.
  • **Reactions under inert atmosphere**, protecting sensitive intermediates from degradation.
  • **Spectroscopic methods** like NMR and MS for structure confirmation, showcasing the compound’s complexity.

In conclusion, ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methyleneamino]benzoate is not just a compound of academic interest but a potential cornerstone for future drug development. Its intricate design and versatile applications make it a compound worth studying in greater depth.

Synonyms
BRN 0856037
23711-43-5
Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate
Benzoic acid, p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)-, ethyl ester