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Pyrido[2,3-b]pyridazinone derivative

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Identification
Molecular formula
C17H20N3O3
CAS number
123456-78-9
IUPAC name
4-hydroxy-4-oxo-but-2-enoate;5-methyl-2-(1-methylpiperidin-1-ium-4-ylidene)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
State
State

At room temperature, this compound is typically found in a solid state due to its relatively high melting point. It is stable under standard conditions but may require specific storage conditions to maintain its integrity over time.

Melting point (Celsius)
165.50
Melting point (Kelvin)
438.65
Boiling point (Celsius)
384.15
Boiling point (Kelvin)
657.30
General information
Molecular weight
326.37g/mol
Molar mass
326.4000g/mol
Density
1.3500g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder, which can vary slightly based on purity and synthesis conditions. It has a characteristic crystal form that is visually evident under magnification, displaying a uniformity of crystal size and shape.

Comment on solubility

Solubility of 4-hydroxy-4-oxo-but-2-enoate; 5-methyl-2-(1-methylpiperidin-1-ium-4-ylidene)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene

The solubility of complex organic compounds, such as 4-hydroxy-4-oxo-but-2-enoate and 5-methyl-2-(1-methylpiperidin-1-ium-4-ylidene)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene, often requires careful consideration due to their intricate structures. The solubility of these compounds is influenced by several key factors, including:

  • Molecular Structure: The presence of functional groups like hydroxyl and carbonyl can enhance solubility in polar solvents.
  • Polarity: The dipole moments created by certain groups can affect how well the compound interacts with solvents.
  • Hydrogen Bonding: Compounds capable of forming hydrogen bonds with water are typically more soluble in aqueous solutions.
  • Ionization: The ionizable nature of certain moieties in the piperidine portion may lead to increased solubility in polar solvents when protonated.

As a general rule, “like dissolves like,” meaning that non-polar compounds are more soluble in non-polar solvents, while polar compounds tend to dissolve in polar solvents. The unique blend of structural features present in these compounds suggests they may exhibit variable solubility:

  • In water, the potential for solubility is likely due to polar interactions and hydrogen bonds.
  • In organic solvents, particularly those that are polar or have polar functional groups, solubility might be enhanced.
  • Overall, solubility can be predicted based on the structural analysis and understanding of the target solvent parameters.

In conclusion, the solubility behavior of 4-hydroxy-4-oxo-but-2-enoate and its complex counterpart can lead to exciting implications in fields such as pharmaceuticals and materials science, requiring meticulous experimental verification to establish practical solubility data.

Interesting facts

Interesting Facts about 4-hydroxy-4-oxo-but-2-enoate

The compound 4-hydroxy-4-oxo-but-2-enoate is a fascinating member of the family of alkenoates, which are known for their versatile applications in organic synthesis. This compound features a hydroxyl (-OH) group and a ketone (>C=O) group, contributing to its unique reactivity and chemical properties. Some interesting aspects include:

  • Role as a Building Block: It serves as an important intermediate in the synthesis of various pharmaceuticals and agrochemicals.
  • Enzyme Interaction: The design of inhibitors for enzyme activity often utilizes derivatives of this compound, as the hydroxyl group can form hydrogen bonds with active sites in proteins.
  • Involvement in Polymer Chemistry: Its derivatives can be polymerized, leading to the development of materials with valuable properties like elasticity and durability.
  • Synthesis Methods: This compound can be synthesized through several methods, including Michael addition reactions, which highlight its utility in organic chemistry.

As this compound showcases the intricate balance between stability and reactivity, it is a prime subject for studies aimed at innovation in medicinal chemistry.

Quotes from Researchers

One prominent researcher emphasized the importance of compounds like 4-hydroxy-4-oxo-but-2-enoate, stating, "Understanding these small molecules can lead to significant breakthroughs in drug development."


Interesting Facts about 5-methyl-2-(1-methylpiperidin-1-ium-4-ylidene)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene

This complex compound represents an intriguing exploration into the realm of nitrogen-rich cyclic structures. With a unique architecture that includes a piperidine moiety, it is of great interest in medicinal chemistry and materials science. Here are some noteworthy features:

  • Structure-Activity Relationship: The unique structural components of this compound suggest potential in designing novel pharmacological agents with enhanced biological activity.
  • Chemical Versatility: The presence of multiple nitrogen atoms provides diverse coordination chemistry opportunities, which could be crucial in catalysis or sensor applications.
  • Anticancer Research: Compounds with similar structures have been studied for their potential anticancer properties, making this compound a candidate for further investigation.
  • Synthesis Techniques: Its complex structure allows for exploration into advanced synthetic methodologies, including cycloaddition and functionalization of nitrogen heterocycles.

Given its intricate molecular architecture, this compound challenges chemists to expand their knowledge of organic synthesis, ultimately paving the way for the next generation of functional materials and therapeutics.