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Varenicline

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Identification
Molecular formula
C9H14IN2
CAS number
249296-44-4
IUPAC name
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]ammonium;iodide
State
State

At room temperature, Varenicline is a solid.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
304.20
Boiling point (Kelvin)
577.35
General information
Molecular weight
211.27g/mol
Molar mass
211.2660g/mol
Density
1.4000g/cm3
Appearence

Varenicline appears as a white to off-white crystalline powder. It is the active ingredient in a medication primarily used for smoking cessation.

Comment on solubility

Solubility of Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]ammonium Iodide

Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]ammonium;iodide is an intriguing compound when it comes to its solubility characteristics. Understanding the solubility of this quaternary ammonium salt can provide valuable insights into its practical applications:

  • Water Solubility: As a quaternary ammonium salt, it is generally expected to exhibit good solubility in water due to the ionic nature of its iodide component. The presence of the trimethyl cation enhances solubility in polar solvents.
  • Solvent Compatibility: This compound may also dissolve in a variety of organic solvents, depending on the structure of the alkyl and aromatic portions of the molecule. Suitable solvents might include:
    • Alcohols (e.g., methanol, ethanol)
    • Apolar solvents (e.g., dichloromethane)
  • Temperature Effect: Temperature often plays a significant role in solubility. Increased temperatures can lead to greater solubility in many solvents, allowing for enhanced interactions between solute and solvent.
  • Interactions: The structure features a heterocyclic component that may further affect solubility through hydrogen bonding and dipole interactions.

In summary, while the precise solubility values can vary based on concentration and specific conditions, research has shown that trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]ammonium;iodide is likely to be soluble in both polar and some non-polar solvents, making it a versatile compound for chemical applications.

Interesting facts

Interesting Facts about Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]ammonium Iodide

Trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]ammonium iodide, often simply referred to by its core components, is a fascinating compound that merges the realms of organic chemistry and medicinal applications. Here are some intriguing points about this compound:

  • Structural Diversity: This compound is known for its unique structure featuring a trimethylammonium group, which plays a vital role in its properties and reactivity. The presence of both a pyrrolidine ring and a butynyl substituent contributes to its structural complexity.
  • Potential Biological Activity: Compounds similar to this one have been investigated for their potential bioactive properties. The presence of the pyrrolidine moiety often indicates possible roles in pharmacology, as this structure is common in many biologically active molecules.
  • Ionic Character: As an iodide salt, it exhibits ionic characteristics that could enhance its solubility in various solvents, making it an interesting candidate for various synthesis and extraction processes.
  • Research Usage: This compound has potential applications in research, particularly in the study of ion transport and as a model system for understanding neurotransmitter activity, especially given its ammonium component.
  • Electrophilic Reactions: Due to the reactivity of the alkyne functional group, this compound is particularly interesting in terms of electrophilic reactions in organic synthesis, offering pathways for further chemical transformations.

As a scientist or chemistry student, exploring compounds like trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]ammonium iodide invites a deeper understanding of how structural features can impart distinct chemical behaviors. The exploration of such compounds is not just an exercise in theory; it opens doors to potential innovations in medicinal chemistry and materials science.

Synonyms
(4-(2-Oxo-1-pyrrolidinyl)-2-butynyl)trimethylammonium iodide
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]azanium;iodide
N,N,N-Trimethyl-4-(2-oxopyrrolidin-1-yl)but-3-yn-1-aminium iodide
DTXSID40959407
Trimethyl(4-(2-oxopyrrolidin-1-yl)but-2-ynyl)ammonium iodide
AMMONIUM, (4-(2-OXO-1-PYRROLIDINYL)-2-BUTYNYL)TRIMETHYL-, IODIDE