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Hemicholinium-3

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Identification
Molecular formula
C18H28BrNO2
CAS number
660-93-5
IUPAC name
[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium;bromide
State
State

Hemicholinium-3 is in a solid state at room temperature. It is usually handled and stored as a solid until it is dissolved in a suitable solvent for experimental purposes.

Melting point (Celsius)
181.00
Melting point (Kelvin)
454.00
Boiling point (Celsius)
181.00
Boiling point (Kelvin)
454.00
General information
Molecular weight
426.32g/mol
Molar mass
426.3240g/mol
Density
1.3315g/cm3
Appearence

Hemicholinium-3 typically appears as a white or off-white solid. It is often provided in a crystalline powder form, and may appear slightly granular depending on the purity and the presence of any moisture absorption.

Comment on solubility

Solubility of [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium; bromide

The compound [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium bromide exhibits significant solubility characteristics that are influenced by its quaternary ammonium structure. Here are some key points to consider:

  • Polarity: The presence of the quaternary ammonium group contributes to the overall polarity of the molecule, enhancing its ability to interact with polar solvents such as water.
  • Hydrophilicity: The hydroxymethyl group provides a hydroxyl functional group which increases the affinity for water, promoting solubility in aqueous solutions.
  • Salting Out Effects: When dissolved in water, the ionic nature of the bromide ion may influence the solubility, particularly in the presence of other salts.
  • Temperature Dependency: As with many compounds, solubility may vary with temperature; typically, higher temperatures can increase solubility.

In conclusion, while the solubility behavior of this compound is primarily governed by its ionic and polar features, it is essential to consider circular interactions with solutes and solvents to fully understand its solubility profile. As such, it highlights the importance of molecular structure in determining chemical behavior.

Interesting facts

Interesting Facts about [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium; bromide

This compound, often referred to in the realm of organic and medicinal chemistry, displays intriguing features that highlight its versatility and relevance. Here are some interesting aspects:

  • Structural Complexity: The compound showcases an elaborate structure with a dioxane ring intertwined with hydroxymethyl and trimethylammonium groups, facilitating diverse interactions in various chemical environments.
  • Potential Applications: This compound's unique properties pave the way for its application in:
    • Biological Systems: Its quaternary ammonium component suggests antibacterial properties, making it a candidate for antimicrobial agents.
    • Drug Design: The hydroxymethyl groups could enhance solubility and stability, crucial for effective pharmaceuticals.
  • Chemical Behavior: Due to its ionic nature from the bromide salt form, this compound enhances ionic interactions, which are vital for various chemical reactions and formulations.
  • Synthesis and Characterization: The synthesis of such compounds can involve intricate multi-step processes, often requiring a deep understanding of organic reactions. Techniques like NMR (Nuclear Magnetic Resonance) and IR (Infrared Spectroscopy) are used for characterization.
  • Research Relevance: Scientists are continually exploring compounds like this one for their role in drug delivery systems and therapeutic agents, owing to their favorable pharmacokinetics.

Overall, the study of [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium; bromide opens up important discussions in fields such as medicinal chemistry and material science. As noted by researchers in the field, "Understanding the functional groups and their effects is key in advancing drug design." This compound exemplifies how seemingly simple molecules can have profound implications in scientific inquiry and application.

Synonyms
1031-38-5
((5-(Hydroxymethyl)-2-methyl-2-phenyl-m-dioxan-5-yl)methyl)trimethylammonium bromide
HC 1576
Ammonium, ((5-(hydroxymethyl)-2-methyl-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide, stereoisomer
DTXSID60908194
[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]-N,N,N-trimethylmethanaminium bromide