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Quinuclidin-3-yl benzilate

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Identification
Molecular formula
C21H29NO2
CAS number
6581-06-2
IUPAC name
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,N-dimethyl-ethanamine
State
State

At room temperature, Quinuclidin-3-yl benzilate is typically in the form of a solid powder. It is stable under normal conditions but should be stored in a cool, dry place to maintain its integrity.

Melting point (Celsius)
152.00
Melting point (Kelvin)
425.15
Boiling point (Celsius)
263.00
Boiling point (Kelvin)
536.15
General information
Molecular weight
323.42g/mol
Molar mass
323.4190g/mol
Density
0.9874g/cm3
Appearence

Quinuclidin-3-yl benzilate, also known as QNB, typically appears as a white crystalline powder. It is known for its potent anticholinergic properties, often necessitating careful handling in laboratory settings.

Comment on solubility

Solubility of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,N-dimethyl-ethanamine

The solubility of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,N-dimethyl-ethanamine can be influenced by several factors, particularly due to its complex structure. Understanding its solubility is critical for applications in pharmaceuticals and chemical formulations. Below are some key points regarding its solubility characteristics:

  • Polarity: The presence of nitrogen atoms in the amine group typically increases the compound's polarity, which can enhance solubility in polar solvents such as water.
  • Hydrophobic Regions: The isoquinoline moiety contributes hydrophobic characteristics that might limit solubility in purely aqueous environments.
  • pH Dependence: Solubility may vary with pH; basic or acidic conditions can affect the ionization of the amine, leading to changes in solubility profiles.
  • Temperature: Solubility is also temperature-dependent, with higher temperatures often increasing the solubility of solutes in liquids.

In summary, the solubility of this compound is a multifaceted issue that requires consideration of molecular structure and environmental conditions. Its behavior in different solvents could be characterized as:

  1. Moderately soluble in polar solvents like water.
  2. Less soluble in non-polar solvents due to hydrophobic interactions.
  3. Varies significantly under different pH levels and temperatures.

Such solubility dynamics are essential to monitor for effective utilization in various chemical processes and applications.

Interesting facts

Interesting Facts about 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,N-dimethyl-ethanamine

This fascinating compound, known for its complexity, is a member of the isoquinoline family and is characterized by its unique molecular structure. Researchers have identified several noteworthy aspects regarding this compound:

  • Applications in Medicine: The compound's design suggests potential applications in pharmacology, particularly in developing medications targeting the central nervous system.
  • Isoquinoline Derivatives: As an isoquinoline derivative, it may exhibit alkaloid-like properties, which can have significant implications in herbal medicine and synthetic drug design.
  • Synthetic Interest: The synthesis of such compounds is of keen interest in organic chemistry, as it involves multi-step processes that challenge chemists to employ creative methodologies.
  • Structural Features: The presence of an octahydro structure indicates a high degree of saturation and flexibility, potentially influencing the compound's reactivity and interaction with biological targets.
  • Research Potential: Ongoing studies might focus on understanding how the variations in the molecular architecture could affect the biological activity, leading to new therapeutic avenues.

In summary, the compound serves as an exciting model for ongoing research, not only for its structural complexity but also for its potential implications in medicinal chemistry. As one investigative chemist aptly stated, "The beauty of organic synthesis lies in its ability to generate novel molecules with uncharted therapeutic possibilities." The realm of isoquinoline derivatives is ripe with potential, and this compound is certainly a noteworthy example.

Synonyms
2P32OT4ATK
UNII-2P32OT4ATK
2-(Dimethylaminoethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
2(1H)-Isoquinolineethanamine, octahydro-N,N-dimethyl
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