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Linagliptin

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Identification
Molecular formula
C25H28N8O2
CAS number
668270-12-0
IUPAC name
2-hydroxy-2-oxo-acetate;4-[1-(3-oxo-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one
State
State

At room temperature, Linagliptin is in a solid state. It is stable under normal atmospheric conditions and typically handled in powder form for medical and pharmaceutical uses.

Melting point (Celsius)
202.00
Melting point (Kelvin)
475.15
Boiling point (Celsius)
682.60
Boiling point (Kelvin)
955.75
General information
Molecular weight
472.51g/mol
Molar mass
472.5110g/mol
Density
1.3695g/cm3
Appearence

Linagliptin is a white to yellowish solid that is crystalline in nature. When sufficiently pure, it can exhibit a shinier appearance. It is usually in powder or crystalline form and is odorless.

Comment on solubility

Solubility of 2-hydroxy-2-oxo-acetate; 4-[1-(3-oxo-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one

This compound, due to its complex structure, presents intriguing solubility characteristics that can be observed under various conditions.

  • Polarity: The presence of hydroxyl groups (–OH) and carbonyl groups (C=O) suggests a degree of polarity, potentially enhancing solubility in polar solvents like water.
  • Hydrogen Bonding: The ability to form hydrogen bonds through its hydroxyl group may facilitate its interaction with other polar molecules, resulting in higher solubility.
  • Solvent Interaction: It is anticipated that this compound would be more soluble in organic solvents due to the hydrophobic phenyl groups present in its structure.

However, the overall solubility can be influenced by factors such as temperature, pH, and the presence of co-solvents. As a rule of thumb, "like dissolves like" emphasizes that polarity plays a critical role in determining how well this compound will dissolve in various environments.

Experimentation and detailed analysis would be required to characterize the solubility accurately, but it is reasonable to expect variance based on these factors.

Interesting facts

Interesting Facts About 2-Hydroxy-2-oxo-acetate; 4-[1-(3-oxo-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one

This compound presents a captivating study in the field of organic chemistry, particularly in the realm of heterocyclic compounds. Here are some fascinating insights:

  • Versatile Structure: The presence of both a benzoxazine and a pyrrolidine moiety in its structure signifies its potential versatility in reactivity. Such structures often provide pathways for creating polymers and other complex molecules.
  • Pharmaceutical Potential: Compounds like this often demonstrate biological activity. The incorporation of functional groups such as the hydroxyl and carbonyl can enhance its pharmacological properties, making it a candidate for drug development.
  • Research Applications: The synthesis and functionalization of this compound can lead to the discovery of new materials. Researchers are particularly interested in how these types of compounds can be utilized in organic electronics and sensors.
  • Environmental Significance: Compounds containing benzoxazine structures are studied for their potential applications in biocompatible materials, which can lead to reduced environmental impacts, particularly in medical devices.
  • Complex Synthesis: The synthetic pathways leading to the creation of this compound may involve several steps, including condensation reactions, oxidation states, and selective functionalization. This makes it a compelling subject for studying reaction mechanisms.

The study of 2-hydroxy-2-oxo-acetate; 4-[1-(3-oxo-3-phenyl-propyl)pyrrolidin-1-ium-3-yl]-1,4-benzoxazin-3-one showcases the intricate balance between structure and function in chemical compounds, providing scientists with ample opportunities for exploration and innovation.

Synonyms
2H-1,4-Benzoxazin-3(4H)-one, 4-(1-(2-benzoylethyl)-3-pyrrolidinyl)-, oxalate (1:1)
23150-87-0
4-(1-(2-Benzoylethyl)-3-pyrrolidinyl)-2H-1,4-benzoxazin-3(4H)-one oxalate (1:1)
RefChem:267937