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Sertraline

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Identification
Molecular formula
C17H17Cl2N
CAS number
79617-96-2
IUPAC name
4-[(dimethylamino)methyl]-3-[hydroxy(phenyl)methyl]benzofuran-5-ol
State
State

Sertraline hydrochloride is typically a solid under standard conditions.

Melting point (Celsius)
246.50
Melting point (Kelvin)
519.65
Boiling point (Celsius)
350.00
Boiling point (Kelvin)
623.15
General information
Molecular weight
306.23g/mol
Molar mass
306.2340g/mol
Density
1.1860g/cm3
Appearence

Sertraline hydrochloride is usually found as a white to off-white crystalline powder. It is highly soluble in ethanol and water and practically insoluble in ether.

Comment on solubility

Solubility of 4-[(dimethylamino)methyl]-3-[hydroxy(phenyl)methyl]benzofuran-5-ol

The solubility of 4-[(dimethylamino)methyl]-3-[hydroxy(phenyl)methyl]benzofuran-5-ol in various solvents can provide insights into its potential applications and behavior in different environments. Here are some key points regarding its solubility:

  • Polar solvents: This compound is likely to exhibit significant solubility in polar solvents like water due to the presence of hydroxyl groups, which can facilitate hydrogen bonding.
  • Non-polar solvents: Its solubility may be limited in non-polar solvents, such as hexane, because the predominant aromatic structure is less compatible with such environments.
  • Alcohols: Solvents like ethanol or methanol may enhance solubility even further, making them suitable choices for dissolving this compound in laboratory settings.

In general, the solubility behavior can be summarized as:

  1. Good solubility in polar solvents, especially those capable of hydrogen bonding.
  2. Limited solubility in highly non-polar environments.
  3. Enhanced solubility in alcohols and similar organic solvents.

Understanding the solubility characteristics of this compound is essential for its practical use in chemical reactions and formulations. As such, proper solvent selection is critical to achieving the desired outcomes in research and applications.

Interesting facts

Interesting Facts about 4-[(Dimethylamino)methyl]-3-[hydroxy(phenyl)methyl]benzofuran-5-ol

This compound, also known in the scientific community as a specific derivative of benzofuran, is a fascinating example of a small molecule with potential applications in medicinal chemistry. Here are some intriguing aspects:

  • Diverse Applications: Compounds like this one are of significant interest in pharmaceutical research due to their potential bioactivity. They may act as substrates or inhibitors in various biological pathways.
  • Structural Complexity: The structure contains multiple functional groups, including a dimethylamino group and a hydroxyl group. This complexity can facilitate unique interactions with biological targets, possibly leading to new therapeutic agents.
  • Inhibitory Potential: Many benzofuran derivatives have shown promise in the inhibition of specific enzymes and receptors, contributing to their evaluation as treatment options for diseases such as cancer and neurodegenerative disorders.
  • Research Focus: Ongoing studies are aimed at understanding the pharmacological mechanisms through which compounds like this exert their effects. The incorporation of phenyl and dimethylamino groups could enhance lipophilicity and modulate solubility characteristics.
  • Synthetic Pathways: The synthesis of this compound may involve several ingenious reactions, showcasing the versatility and creativity of organic synthesis. It encourages chemists to explore new synthetic methodologies for constructing complex structures efficiently.

As a whole, 4-[(dimethylamino)methyl]-3-[hydroxy(phenyl)methyl]benzofuran-5-ol exemplifies the intricate relationship between molecular structure and biological activity. As research progresses, it holds promise for informing the design of novel therapeutic compounds.

Synonyms
4-[(dimethylamino)methyl]-3-[hydroxy(phenyl)methyl]-1-benzofuran-5-ol
MLS000104264
CBKinase1_000184
CBKinase1_012584
Oprea1_853512
CBDivE_003968
CHEMBL1409397
HMS2297G12
STL328104
AKOS022110600
SMR000054199
DB-425169
AH-262/01739018
AH-262/08619013
SR-01000199179
SR-01000199179-1
BRD-A92765625-001-01-7
4-((dimethylamino)methyl)-3-(hydroxy(phenyl)methyl)benzofuran-5-ol
19404-33-2