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Bromocen

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Identification
Molecular formula
C30H42Br2N2O4
CAS number
943096-01-9
IUPAC name
(2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium;dibromide
State
State

At room temperature, Bromocen is a solid compound.

Melting point (Celsius)
110.00
Melting point (Kelvin)
383.15
Boiling point (Celsius)
248.00
Boiling point (Kelvin)
521.15
General information
Molecular weight
753.68g/mol
Molar mass
753.6820g/mol
Density
0.8065g/cm3
Appearence

Bromocen appears as a white to off-white crystalline powder. It is hygroscopic, meaning it can readily absorb moisture from the environment.

Comment on solubility

Solubility of (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium;dibromide

The solubility of the compound (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium;dibromide can be quite complex, primarily due to its intricate structure and the presence of multiple functional groups. Here are some key points to consider regarding its solubility:

  • Polar Components: The dimethylammonium and carboxylate groups contribute to the polar nature of the compound, which may enhance solubility in polar solvents such as water and methanol.
  • Hydrophobic Elements: The presence of the benzoyloxy and cyano groups introduces hydrophobic characteristics, which could hinder solubility in aqueous environments.
  • Salt Formation: Being a dibromide salt, the compound may demonstrate improved solubility in water compared to its nonionic counterparts due to ion-dipole interactions.
  • Temperature Influence: As with many organic compounds, solubility can be temperature-dependent; thus, higher temperatures may favor increased dissolution.

In summary, the solubility of this compound is likely to exhibit a dual nature, being soluble in polar solvents while potentially experiencing limitations in nonpolar environments. Further empirical testing would be beneficial for determining the precise solubility profile across various solvents.

Interesting facts

Compound Overview: (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium;dibromide

This fascinating compound is a complex quaternary ammonium salt that harbors both organic and ionic features, making it a subject of considerable study in medicinal chemistry and pharmaceutical applications. Here are some interesting aspects:

  • Chemical Structure: The intricate structure showcases a combination of benzoyloxy and cyano groups, which are known to influence biological activity. Each functional group contributes to the compound’s overall characteristics.
  • Biological Relevance: Compounds like this often exhibit interesting biological activities. The presence of dimethylammonium suggests potential use as a drug delivery mechanism, allowing for increased solubility in physiological conditions.
  • Applications in Drug Development: The complexity of this compound makes it suitable for use in developing treatments for various diseases, especially in targeted therapy where precise delivery to specific cells is crucial.
  • Research Potential: The compound is likely to be a part of various research studies aimed at understanding its pharmacodynamics and pharmacokinetics, vital for evaluating the efficacy and safety of new pharmaceuticals.

As noted by many researchers in the field, "The design of novel compounds with dual functionalities is key to advancing therapeutic strategies." This compound exemplifies the innovative approaches taken to enhance drug performance and efficacy in treatment regimens.

Overall, this compound not only represents a unique blend of chemical properties but also holds promise for future applications in the realm of medicinal chemistry.

Synonyms
28003-38-5
Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate (ester)
RefChem:319124
DTXSID10950688
2,2'-(1,4-Phenylene)bis(N-{[2-(benzoyloxy)-2-cyanocyclohexyl]methyl}-N,N-dimethyl-2-oxoethan-1-aminium) dibromide