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Sertraline

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Identification
Molecular formula
C17H17Cl2N
CAS number
79617-96-2
IUPAC name
4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol;(4S)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
State
State

Sertraline is generally found in a solid state at room temperature.

Melting point (Celsius)
246.50
Melting point (Kelvin)
519.65
Boiling point (Celsius)
640.00
Boiling point (Kelvin)
913.15
General information
Molecular weight
306.23g/mol
Molar mass
306.2310g/mol
Density
1.2320g/cm3
Appearence

Sertraline appears as a white crystalline powder. It is very slightly soluble in water and has a slight odor.

Comment on solubility

Solubility of 4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol and (4S)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

The solubility of the compounds 4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol and (4S)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol is an interesting subject, particularly due to their complex structures and functional groups.

Key points to consider regarding their solubility include:

  • Polar vs. Non-polar Characteristics: The presence of hydroxyl (-OH) groups in 4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol suggests increased polarity, enhancing its solubility in polar solvents such as water.
  • Hydrophobic Interactions: The hydrophobic portions of the molecule can hinder solubility in polar solvents, leading to a balance in solubility depending on the overall structure.
  • Solvent Compatibility: Each compound may exhibit distinct solubility preferences in organic solvents versus aqueous environments. For example, decent solubility might be observed in methanol or ethanol compared to water.
  • Conformation and Structure: The stereochemistry and three-dimensional conformation can also affect solubility, often requiring experimental data for accurate assessment.

In conclusion, while the solubility behaviors of these compounds can indicate their potential applications and interactions in various environments, further research through experimental solubility tests is essential to establish precise solubility data and enhance our understanding of their chemical properties. As always, consultation of experimental solubility data is recommended for practical applications!

Interesting facts

Interesting Facts about 4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol and its Related Compound

This compound, known for its complex structure, is part of a fascinating class of organic molecules that exhibit significant biological activity. The presence of multiple functional groups makes it a subject of interest for various fields of research:

  • Structural Intricacy: The compound showcases intricate stereochemistry, specifically the (4S) configuration, which plays a crucial role in defining its biological properties.
  • Potential Applications: Research indicates that derivatives of this compound may hold promise in medicinal chemistry, particularly in the development of therapeutic agents targeting neurological conditions.
  • Natural Product Inspiration: Many compounds with similar structures are derived from natural products and are often studied for their pharmacological effects. This highlights the importance of understanding such compounds in drug discovery.
  • Mechanistic Insights: The study of how such compounds interact at a molecular level with biological systems could lead to breakthroughs in pharmacodynamics and pharmacokinetics.
  • Research Frontiers: Ongoing studies aim to further explore the synthesis and functionalization of cyclohexanol derivatives, which could pave the way for the creation of more effective drugs.

In summary, 4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexanol is not just a chemical entity; it is an exciting entry point into the world of medicinal chemistry, offering opportunities for innovation and discovery in therapeutic applications.