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4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one 4-hydroxy-4-oxo-but-2-enoate

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Identification
Molecular formula
C16H16N2O5
CAS number
152460-01-0
IUPAC name
4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one;4-hydroxy-4-oxo-but-2-enoate
State
State

At room temperature, the compound is generally found as a solid. Its crystalline structure makes it appear stable, and it maintains its solid-state unless exposed to temperatures close to its melting point.

Melting point (Celsius)
202.00
Melting point (Kelvin)
475.15
Boiling point (Celsius)
395.00
Boiling point (Kelvin)
668.15
General information
Molecular weight
374.42g/mol
Molar mass
374.4220g/mol
Density
1.2801g/cm3
Appearence

The compound typically appears as a crystalline solid with a pale yellowish tint. It is known to absorb moisture from the air (hygroscopic) and may appear translucent under specific lighting conditions.

Comment on solubility

Solubility of 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; 4-hydroxy-4-oxo-but-2-enoate

The solubility of the compound 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; 4-hydroxy-4-oxo-but-2-enoate can be intriguing due to its unique structural features, which impact its interaction with solvents. Here are some essential points to consider:

  • Polarity: The presence of multiple functional groups influences the polarity of the compound, suggesting that it may demonstrate significant solubility in polar solvents such as water and methanol.
  • Hydrogen Bonding: The functional groups capable of hydrogen bonding can enhance solubility. In particular, the hydroxyl group (-OH) can interact favorably with solvents that can donate or accept hydrogen bonds.
  • Chain Length: The ethyl group in the structure can introduce some hydrophobic character, potentially reducing solubility in highly polar solvents.
  • Temperature Dependence: As with many compounds, solubility is generally temperature dependent, often increasing with higher temperatures. This could pave the way for better solubility in warmer solvents.

In conclusion, while the exact solubility profile of this compound depends on specific experimental conditions, it appears it may exhibit considerable solubility in a range of polar solvents. This characteristic can be crucial for its applications in various chemical contexts.

Interesting facts

Interesting Facts about 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; 4-hydroxy-4-oxo-but-2-enoate

This compound, with a complex structure, combines features of both a benzoxazine and an enol derivative, making it a fascinating subject of study in organic and medicinal chemistry.

Key Highlights:

  • Diverse Applications: The unique structure of this compound lends itself to numerous applications, particularly in the fields of drug design and synthesis. Its components may have interesting biological activities worth investigating.
  • Coordination Chemistry: Compounds with such heteroatom functionalities are known to form coordination complexes, which can be essential in catalysis and materials science.
  • Pyrrolidinium Ion Chemistry: The presence of the ethylpyrrolidinium moiety suggests potential ionic characteristics that could influence its solubility and reactivity in various environments.
  • Natural Product Inspiration: The structural elements could bear resemblance to natural products, which are often templates for synthesizing new therapeutic agents.

“Understanding the subtleties of such compounds could lead to groundbreaking discoveries in medicinal chemistry.”

Research Opportunities:

  • Novel Synthesis Routes: Exploring synthetic pathways to create this compound can unveil new methods in organic synthesis, enriching the chemist’s repertoire.
  • Biological Testing: Investigating the biological activity of this compound may reveal exciting pharmacological properties, potentially leading to new treatments or drugs.

In summary, 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; 4-hydroxy-4-oxo-but-2-enoate stands out as a complex and intriguing compound, inviting researchers to delve into its chemistry for various innovative applications.