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Diethylcarbamoylmethyl 5-(4-chlorophenyl)isoxazole-3-ylmethyl-dimethyl-ammonium chloride

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Identification
Molecular formula
C17H22Cl2N3O
CAS number
144993-65-7
IUPAC name
[3-(4-chlorophenyl)isoxazol-5-yl]methyl-diethyl-ammonium;chloride
State
State

At room temperature, the compound remains in a solid state, maintaining its crystalline form. It is stable under normal conditions.

Melting point (Celsius)
155.00
Melting point (Kelvin)
428.00
Boiling point (Celsius)
250.00
Boiling point (Kelvin)
523.00
General information
Molecular weight
282.22g/mol
Molar mass
282.2170g/mol
Density
1.2000g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder. The presence of the chlorophenyl group can provide distinct features, but generally, it maintains a neutral look devoid of color.

Comment on solubility

Solubility of [3-(4-chlorophenyl)isoxazol-5-yl]methyl-diethyl-ammonium;chloride

The solubility of [3-(4-chlorophenyl)isoxazol-5-yl]methyl-diethyl-ammonium;chloride exhibits notable characteristics that define its behavior in various solvents. As a quaternary ammonium compound, its solubility is primarily influenced by the following factors:

  • Polarity: The presence of the quaternary ammonium group increases polarity, suggesting a higher solubility in polar solvents such as water.
  • Hydrophobic interactions: The bulky 4-chlorophenyl group contributes to hydrophobic characteristics, which may limit solubility in non-polar solvents.
  • Electrostatic Forces: As a salt, it may dissociate in solution, enhancing solubility through ionic interactions with surrounding water molecules.

In summary, while the compound is expected to be soluble in water due to its ionic nature, its degree of solubility may vary with temperature and pH, as well as the presence of other solutes. As one expert puts it, “the interplay of structural features can yield surprising results in solubility behavior.” Thus, assessing the solubility of [3-(4-chlorophenyl)isoxazol-5-yl]methyl-diethyl-ammonium;chloride requires a careful consideration of these interactions and environmental conditions.

Interesting facts

Interesting Facts about [3-(4-Chlorophenyl)isoxazol-5-yl]methyl-diethyl-ammonium;chloride

This compound is a fascinating example of organic chemistry's capacity to synthesize complex structures with potential pharmaceutical applications. It features an isoxazole ring system, which is a five-membered heterocyclic compound containing two different types of atoms: nitrogen and oxygen. Here are some notable points regarding this compound:

  • Biological Activity: Compounds with isoxazole moieties often exhibit significant biological activities. They are investigated for their roles in drug development, particularly in the fields of anti-inflammatory and anti-tumor therapies.
  • Chlorine Substitution: The presence of a chlorine atom on the phenyl ring enhances the lipophilicity of the compound, which can improve the permeability of the molecule through biological membranes.
  • Ammonium Group: The quaternary ammonium structure (diethyl-ammonium) provides the compound with interesting chemical behavior, including solubility in polar solvents and potential for ion exchange applications.
  • Potential Applications: Due to its unique structure, this compound could be explored for various applications, including:
    • Drug formulation and delivery systems
    • Antimicrobial agents
    • Research into neuropharmacology

As students of chemistry, understanding such compounds broadens our appreciation for the interplay between structure and function in chemical entities. The exploration of 3-(4-chlorophenyl)isoxazol-5-yl derivatives is a testament to the innovation in synthetic chemistry and its impact on modern medicine.

Synonyms
3-(p-Chlorophenyl)-5-(diethylaminomethyl)isoxazole hydrochloride
14716-73-5
ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(DIETHYLAMINOMETHYL)-, HYDROCHLORIDE