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Quaternium-18 Bentonite (trade name)

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Identification
Molecular formula
C40H62Br2N2O4
CAS number
97925-95-6
IUPAC name
(2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide
State
State

At room temperature, the compound is typically found in a dry, powdery solid state, making it suitable for use in composite and filling materials.

Melting point (Celsius)
200.00
Melting point (Kelvin)
473.15
Boiling point (Celsius)
750.00
Boiling point (Kelvin)
1 023.15
General information
Molecular weight
839.56g/mol
Molar mass
839.5580g/mol
Density
2.0670g/cm3
Appearence

The compound appears as a white or off-white powder. It may clump together due to static or moisture absorption and is often used for its textural properties in various applications.

Comment on solubility

Solubility Overview

The compound (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide exhibits unique solubility characteristics due to its complex structure. Understanding its solubility is crucial for various applications, especially in pharmaceuticals and chemical formulations.

Factors Influencing Solubility

The solubility of this compound can be affected by several factors, including:

  • Polarity: As a quaternary ammonium compound, it is likely to be polar, which enhances solubility in polar solvents like water.
  • Functional Groups: The presence of acetoxy and cyano functional groups contributes to its solubility profile; these groups can interact favorably with solvent molecules.
  • Temperature: Increasing temperature generally increases solubility for most solids. Thus, heating solvents might improve solubility.
  • pH Levels: Being a salt (dibromide), the solubility may significantly change with the pH of the solution, especially if protonation or deprotonation reactions occur.

Solubility Characteristics

Considering potential solubility outcomes:

  • The compound may have moderate to high solubility in aqueous solutions due to its ionic nature.
  • In organic solvents, such as ethanol or acetone, solubility is likely to vary, prompting the necessity for experimental determination.
  • The dibromide form typically indicates enhanced solubility characteristics compared to its non-salt forms.

In conclusion, assessing the solubility of (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide will require considering these factors comprehensively, and empirical studies should be conducted to determine precise solubility parameters.

Interesting facts

Interesting Facts about (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide

This compound is a fascinating example of how complex molecules can be synthesized and utilized in various fields, particularly in medicinal chemistry. Here are some noteworthy points about it:

  • Structural Complexity: The compound’s structure is intricate, featuring multiple functional groups, including acetoxy, cyano, and ammonium moieties. This complexity can enhance its biological activity and specificity.
  • Potential Medicinal Applications: Compounds like this one are often explored for their potential therapeutic effects. The presence of acetoxy and cyano groups can impart unique properties, making it intriguing for drug design.
  • Cationic Nature: The dimethylammonium group provides a cationic charge, which can facilitate interactions with negatively charged biomolecules, potentially enhancing cellular uptake in therapeutic applications.
  • Research Interest: The synthesis and study of such complex compounds can contribute to the development of new classes of pharmaceuticals, particularly for targeting cancer cells or other diseased tissues.
  • Synthetic Strategies: Creating this compound likely involves multiple synthetic steps, highlighting the ingenuity and precision required in modern organic chemistry. Techniques such as coupling reactions and protection-deprotection strategies may be used.

The study of compounds like (2-acetoxy-2-cyano-cyclohexyl)methyl-[2-[4-[4-[2-[(2-acetoxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium;dibromide not only showcases the beauty of chemical synthesis but also opens doors to understanding their functional properties in biological systems.

Synonyms
28003-33-0
Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester)
RefChem:318894
DTXSID30950685
2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis(N-{[2-(acetyloxy)-2-cyanocyclohexyl]methyl}-N,N-dimethylethanamidium) dibromide