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Butylscopolammonium chloride

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Identification
Molecular formula
C21H30NO2 • Cl
CAS number
149-64-4
IUPAC name
butyl-[2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl]-ethyl-ammonium;chloride
State
State

At room temperature, butylscopolammonium chloride is in a solid state. It is stable under normal conditions of use and storage.

Melting point (Celsius)
198.00
Melting point (Kelvin)
471.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
466.02g/mol
Molar mass
466.0230g/mol
Density
1.0300g/cm3
Appearence

Butylscopolammonium chloride appears as a white or off-white crystalline powder. It is typically odorless and can attract moisture as it is somewhat hygroscopic.

Comment on solubility

Solubility of Butyl-[2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl]-ethyl-ammonium Chloride

The solubility of this compound is influenced by several factors, primarily its ionic character and molecular structure. Here are some key points to consider:

  • Ionic Nature: As an ammonium salt, butyl-[2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl]-ethyl-ammonium chloride tends to be soluble in polar solvents, such as water. This is due to the presence of the +NH₄ cation and the −Cl anion which facilitate ionic interactions with solvent molecules.
  • Hydrophobic Segments: The presence of long butyl and ethoxy chains contributes hydrophobic characteristics that may limit its solubility in strictly aqueous environments. Thus, it may be more soluble in organic solvents like ethanol and acetone.
  • Temperature Impact: As with many compounds, solubility can increase with temperature, allowing for greater interaction with solvent at higher temperatures.
  • pH Effects: The solubility may also vary with the pH of the solution. At different pH levels, the ammonium group may either gain or lose protons, potentially impacting the compound's solubility.

In summary, the solubility of butyl-[2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl]-ethyl-ammonium chloride can be characterized as modestly soluble in water and more readily soluble in organic solvents, with various factors including temperature and pH playing significant roles in its overall behavior.

Interesting facts

Interesting Facts about Butyl-[2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl]-ethyl-ammonium Chloride

This compound, butyl-[2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl]-ethyl-ammonium chloride, is an intriguing member of the ammonium salts. Its unique molecular structure offers numerous avenues for exploration in both chemical synthesis and practical applications.

Chemical Structure and Characteristics

The compound features a distinct organization of functional groups that contributes to its behavior and reactivity:

  • Ammonium Functionality: The presence of ammonium acts as a cation, which can greatly influence solubility and interaction with other molecules.
  • Ether and Ester Components: The ethoxy and diphenyl-acetyl segments lend this compound its specific reactivity patterns, making it suitable for reactions that involve nucleophilic substitution.
  • Butyl Group: The butyl moiety enhances lipophilicity, which can facilitate membrane penetration in biological systems.

Biological Significance

This compound presents potential uses in a variety of fields:

  • Pharmaceutical Applications: Thanks to its ammonium salt nature, it could be investigated for drug formulation where solubility and bioavailability are critical.
  • Biochemical Research: The structural characteristics may allow it to interact with specific biological pathways, paving the way for further research in medicinal chemistry.

Potential Research Avenues

Researchers could explore several interesting facets of this compound:

  1. Investigate its behavior as a phase transfer catalyst, considering its ability to facilitate the transfer of ionic species between immiscible phases.
  2. Study its stability under various conditions to understand its potential as a prodrug.
  3. Explore the interactions with biomolecules, which could illuminate its potential pharmacological applications.

In conclusion, butyl-[2-(2-ethoxy-2,2-diphenyl-acetyl)oxyethyl]-ethyl-ammonium chloride is more than just a chemical compound; its innovative structure opens up a wealth of possibilities for scientific inquiry and innovation.

Synonyms
Acetic acid, 2,2-diphenyl-2-ethoxy-, (2-(N-butyl-N-ethylamino)ethyl) ester, hydrochloride
3211-10-7
2,2-Diphenyl-2-ethoxyacetic acid (2-(N-butyl-N-ethylamino)ethyl) ester hydrochloride