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UCI-50027 hydrochloride

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Identification
Molecular formula
C19H23ClN4O3
CAS number
: 1379335-18-3
IUPAC name
1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride
State
State

The compound is typically found as a crystalline solid under standard conditions (room temperature and pressure).

Melting point (Celsius)
162.00
Melting point (Kelvin)
435.15
Boiling point (Celsius)
270.00
Boiling point (Kelvin)
543.15
General information
Molecular weight
377.87g/mol
Molar mass
377.8660g/mol
Density
1.2900g/cm3
Appearence

The compound typically appears as a white to off-white powder. It is hygroscopic, meaning it can absorb moisture from the air, which may affect its initial appearance.

Comment on solubility

Solubility of 1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride

The solubility characteristics of the compound 1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride are intriguing and can be summarized in the following points:

  • Solubility in Water: Being a hydrochloride salt, this compound is generally expected to show enhanced solubility in water compared to its parent base due to the ionization potential of the hydrochloride group.
  • Effect of pH: The solubility may vary with pH; it tends to be more soluble in acidic conditions owing to protonation, which stabilizes the ionic form.
  • Organic Solvents: In non-polar organic solvents like hexane or toluene, the solubility is likely to be low due to the polar nature of the hydrophilic groups.
  • Temperature Dependence: Increasing temperature often leads to increased solubility for many salts; thus, warming the solution might facilitate a greater dissolution rate.
  • Crystallization: The salt form can lead to difficulty in crystallization when trying to isolate the compound, affecting practical applications.

In conclusion, while the compound shows a tendency to be soluble in aqueous environments, particularly under acidic conditions, its behavior in various solvents can provide vital insights into its chemical properties and potential uses. Understanding these solubility characteristics is crucial for effective application in pharmaceuticals and chemical syntheses.

Interesting facts

Interesting Facts About 1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride

This compound, often characterized by its complex structure, is known for a variety of intriguing properties and potential applications. Here are some interesting insights:

  • Unique Structural Features: The compound showcases a bicyclic system, specifically a diazabicyclo[3.2.1] structure, which contributes to its distinct chemical reactivity. The incorporation of the nitrophenyl group enhances its electronic properties, making it a candidate worth studying in medicinal chemistry.
  • Potential Pharmaceutical Applications: Due to the presence of functional groups that can interact with biological targets, this compound may display pharmacological activities, leading scientists to explore its potential as a therapeutic agent in the treatment of various conditions.
  • Mechanistic Insights: Research into this compound can reveal mechanisms of action relevant to drug design. The presence of both diazabicyclo and nitrophenyl entities could influence how it interacts with enzymes or receptors in the body.
  • Analytical Techniques: The complexity of this compound necessitates the usage of advanced analytical techniques for characterization. Techniques such as NMR spectroscopy and mass spectrometry are likely pivotal in determining its molecular structure and purity.
  • Environmental Considerations: While investigating its applications, it is also essential to assess the environmental impact of this compound, particularly because nitro derivatives can pose challenges in terms of biodegradability.

In summary, 1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride is a fascinating compound at the intersection of organic chemistry and pharmacology, waiting to be explored further by researchers in various disciplines.