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Desmethylsertraline

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Identification
Molecular formula
C25H25NO3
CAS number
22255-17-0
IUPAC name
2-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]oxirane
State
State

Desmethylsertraline is typically a solid at room temperature, presenting itself in a crystalline form.

Melting point (Celsius)
253.60
Melting point (Kelvin)
526.75
Boiling point (Celsius)
598.30
Boiling point (Kelvin)
871.45
General information
Molecular weight
383.48g/mol
Molar mass
383.4840g/mol
Density
1.2190g/cm3
Appearence

The appearance of desmethylsertraline is typically in the form of a crystalline solid. It is often off-white to yellow in color.

Comment on solubility

Solubility of 2-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]oxirane

The solubility of 2-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]oxirane is influenced by several factors related to its chemical structure and properties. Understanding these factors is crucial for applications in pharmaceuticals and materials science.

Factors Influencing Solubility:

  • Polarity: The compound contains polar functional groups that can engage in hydrogen bonding, potentially enhancing its solubility in polar solvents like water.
  • Hydrophobic Character: The presence of large hydrophobic aromatic systems may hinder solubility in aquatic environments, favoring organic solvents instead.
  • Temperature: Solubility often increases with temperature, particularly in organic solvents, making thermal conditions a vital consideration in solubility evaluations.
  • pH Levels: Alterations in pH can impact ionization states of the compound, thereby influencing solubility, especially in biological systems.

General Observations:

In practice, many compounds similar to 2-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]oxirane exhibit a tendency for limited solubility in water but are well-soluble in organic solvents such as ethanol, chloroform, or dimethyl sulfoxide (DMSO). Thus, testing in a variety of solvents is advisable to ascertain the most suitable applications.

In conclusion, while the detailed solubility profile of this compound requires empirical testing, its molecular features suggest a complex solubility behavior worthy of further exploration.

Interesting facts

Exploring 2-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]oxirane

2-[[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl]oxirane is a compound of significant interest in medicinal chemistry and material science. This compound is characterized by a unique structure that combines various functional groups which can lead to intriguing biological activities. Here are some interesting aspects:

  • Molecular Complexity: The structure includes a >naphthalene ring, which is known for its stability and aromatic properties. The presence of the methoxy group enhances its potential for interaction in biological systems.
  • Potential Applications: Given its intricate structure, this compound could serve as a lead structure for developing novel drug candidates. It might have implications in treating diseases where similar compounds show efficacy.
  • Oxirane Functional Group: The epoxide group (oxirane) presents unique reactivity. The strain in the three-membered cyclic ether makes it a versatile intermediate in organic synthesis.
  • Study of Intermolecular Interactions: The compound's phenoxy and phenyl groups may contribute to significant intermolecular forces, influencing its biological activity and physical properties.

Additionally, structures similar to this one have been studied for their roles in neuroprotective activities and their potential anti-cancer effects. The diverse reactivity and stability of such compounds open up numerous pathways for research.

“Chemistry is the bridge between the science of matter and the world of design.” - This compound exemplifies that bridge, showing how complex organic molecules can lead us toward new scientific discoveries and innovations.

Synonyms
1,2-Dihydro-4-(p-(2,3-epoxypropoxy)phenyl)-7-methoxy-3-phenylnaphthalene
4211-06-7
BRN 1402740
DTXSID90962284
1-(p-(2,3-Epoxypropoxy)phenyl)-2-phenyl-6-methoxy-3,4-dihydronaphthalene
NAPHTHALENE, 1,2-DIHYDRO-4-(p-(2,3-EPOXYPROPOXY)PHENYL)-7-METHOXY-3-PHENYL-
5-17-03-00029 (Beilstein Handbook Reference)
2-{[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]methyl}oxirane