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Nitrendipine

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Identification
Molecular formula
C18H20ClN3O3
CAS number
39562-70-4
IUPAC name
7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine;chloride
State
State

At room temperature, nitrendipine typically exists as a solid.

Melting point (Celsius)
158.00
Melting point (Kelvin)
431.15
Boiling point (Celsius)
662.80
Boiling point (Kelvin)
935.95
General information
Molecular weight
360.82g/mol
Molar mass
360.3190g/mol
Density
1.4500g/cm3
Appearence

Nitrendipine appears as a light yellow or light orange crystalline powder.

Comment on solubility

Solubility Overview

The solubility of 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine;chloride can be quite intriguing due to its specific chemical structure. This compound contains a quaternary nitrogen atom from the pyridinium group, which influences its solubility behavior.

Factors Affecting Solubility

  • Polarity: The presence of ionic chloride and polar functional groups generally enhances solubility in polar solvents such as water.
  • Hydrogen Bonding: The formation of hydrogen bonds can also contribute to solubility, particularly in solvents that can donate hydrogen bonds to the molecule.
  • Steric Effects: The spatial arrangement of the compound may hinder solvent interactions, which can impact its solubility in certain solvents.

It is generally expected that this compound is more soluble in polar solvents due to the positively charged pyridinium part, which promotes interactions with water molecules. However, **solubility can still vary** significantly based on temperature, the presence of other solutes, and the specific solvent used.

Conclusion

In summary, the solubility of 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine;chloride can be characterized as relatively favorable in polar environments, but further experimental data would provide the most precise insights into its solubility characteristics.

Interesting facts

7-Nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine; Chloride

This fascinating compound is notable for its unique structural features and significant potential in medicinal chemistry. The incorporation of the nitro group and the pyridin-1-ium moiety introduces intriguing electronic and biological characteristics, making it a subject of interest:

  • Bioactivity: Compounds featuring nitro groups are often recognized for their antimicrobial properties. The presence of a pyridine ring can further enhance this activity by influencing the compound’s interaction with biological targets.
  • Synthesis: The synthesis of this compound may involve sophisticated methods, allowing chemists to explore various reaction pathways, such as multi-step organic transformations that demonstrate the principles of nucleophilic substitutions and aromatic substitutions.
  • Applications: Research has indicated that benzoxazine derivatives can serve as promising candidates in fields such as drug development. Their unique structural framework supports ongoing investigations into cancer therapies, anti-inflammatory drugs, and more.
  • Structure-Activity Relationship (SAR): The intricate relationship between the compound's structure and its biological activity presents an opportunity for chemists to modify and optimize derivatives for enhanced efficacy.
  • Theoretical Modeling: Advances in computational chemistry allow for the modeling of this compound’s interactions at the molecular level, providing insights into its reactivity and biological mechanism of action.

In summary, 7-nitro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine; chloride stands at the intersection of synthetic organic chemistry and pharmacology. Its structural complexity and potential biological applications make it an exciting area of study for both emerging scientists and seasoned researchers.

Synonyms
7-Nitro-3-(2-(4-pyridyl)ethyl)-3,4-dihydro-1H-2,3-benzoxazine hydrochloride
1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-NITRO-3-(2-(4-PYRIDYL)ETHYL)-, HYDROCHLORIDE
21038-13-1
RefChem:237284