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4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one

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Identification
Molecular formula
C19H20N2O2
CAS number
890099-52-0
IUPAC name
4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one
State
State

At room temperature, this compound is in a solid state. It is usually stable under normal conditions but should be handled with care to avoid exposure to moisture and light, which might affect its stability and appearance.

Melting point (Celsius)
195.00
Melting point (Kelvin)
468.15
Boiling point (Celsius)
412.00
Boiling point (Kelvin)
685.15
General information
Molecular weight
318.36g/mol
Molar mass
318.3630g/mol
Density
1.2875g/cm3
Appearence

The compound typically appears as a crystalline solid. The exact color and form can vary based on the synthetic method and purity, but it is often off-white to light brown in color.

Comment on solubility

Solubility of 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one

The solubility of 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one can be influenced by various factors, making it a compound of interest in scientific studies. Typically, the solubility of a compound in a given solvent depends on its molecular structure and polarity.

Factors Affecting Solubility:

  • Polarity: The nature of the molecular groups present can affect how well the compound dissolves in polar versus non-polar solvents.
  • Temperature: As with many organic compounds, increasing the temperature often enhances solubility.
  • pH Levels: The solubility might change significantly under different pH conditions, especially if the compound has acidic or basic functional groups.

For 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one, solubility can generally be described as:

  • Potentially soluble in polar solvents such as ethanol and water due to the presence of the benzoxazinone moiety.
  • Soluble in non-polar solvents like chloroform and benzene, depending on substituents affecting the overall hydrophobicity.

In conclusion, the solubility of this compound is a complex interplay of its structural components, environmental conditions, and solvent characteristics. As with many organic compounds, understanding its solubility profile is crucial for optimizing its application in areas such as pharmaceuticals and materials science.

Interesting facts

Interesting Facts about 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one

The compound known as 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one is a fascinating molecule due to its unique structural features and potential applications. Here are some key insights:

  • Structural Diversity: This compound represents an intriguing example of structural diversity in organic chemistry. The combination of a benzoxazine ring and a pyrrolidine moiety provides a rich platform for chemical reactivity and potential interactions with biological systems.
  • Biological Activity: Compounds similar to benzoxazines have been noted for their pharmacological significance. They can exhibit a variety of biological activities, including anti-inflammatory and antimicrobial properties, which make them candidates for research in medicinal chemistry.
  • Research Potential: The presence of both the pyrrolidine and benzyl groups may enhance the compound's interaction with biological targets, making it an intriguing candidate for studies aimed at drug development.
  • Advanced Synthetic Techniques: The synthesis of such compounds often involves advanced techniques in organic chemistry, including but not limited to, multi-step synthesis that may incorporate various protective groups and functionalization methods.
  • In Silico Studies: Modern computational chemistry allows for the exploration of structure-activity relationships (SAR) for molecules like this one, enabling predictions about their interactions with specific biological targets even before empirical testing.

In conclusion, 4-(1-benzylpyrrolidin-3-yl)-1,4-benzoxazin-3-one stands as a compelling example of how diverse chemical structures can pave the way for innovative applications in pharmaceuticals and beyond. As noted in one publication, "The integration of multiple active moieties within a single molecule can significantly enhance its biological profile." This compound is a testament to the creativity and complexity found in modern chemistry.

Synonyms
4-(1-Benzyl-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one
21787-45-1
2H-1,4-BENZOXAZIN-3(4H)-ONE, 4-(1-BENZYL-3-PYRROLIDINYL)-
RefChem:1065103
DTXSID50944389
4-(1-benzylpyrrolidin-3-yl)-2H-1,4-benzoxazin-3(4H)-one