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Quetiapine

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Identification
Molecular formula
C21H25F2NO2S
CAS number
111974-69-7
IUPAC name
3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethyl-propan-1-amine
State
State

At room temperature, quetiapine is in a solid state in the form of a crystalline powder.

Melting point (Celsius)
173.00
Melting point (Kelvin)
446.15
Boiling point (Celsius)
430.00
Boiling point (Kelvin)
703.15
General information
Molecular weight
383.53g/mol
Molar mass
384.5320g/mol
Density
1.4204g/cm3
Appearence

Quetiapine is typically found in its solid state as a white to off-white crystalline powder. It is practically insoluble in water but soluble in dilute acidic solutions.

Comment on solubility

Solubility of 3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethyl-propan-1-amine

The solubility of a compound plays a crucial role in its application and usability in various chemical processes. For the compound 3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethyl-propan-1-amine, multiple factors affect its solubility:

  • Polarity: The presence of polar functional groups often increases solubility in polar solvents such as water. Conversely, non-polar groups tend to favor solubility in non-polar solvents.
  • Hydrogen Bonding: Ability to form hydrogen bonds can significantly enhance solubility in water; this is crucial for many organic amines.
  • Temperature: Solubility can be temperature-dependent, with higher temperatures generally increasing solubility for solids, but the relationship can vary based on the compound.
  • pH Levels: For amines, the pH of the solution can alter the ionization state, impacting solubility. An amine may become more soluble at higher pH values due to protonation.

Overall, it is important to conduct empirical tests to determine the exact solubility characteristics of this specific compound. As with many chemical compounds, its solubility can vary widely with changes in the solvent type and environmental conditions. Therefore, in practical applications, consider evaluating its interaction with various solvents for comprehensive solubility analysis.

Interesting facts

Interesting Facts about 3-(3,8-Difluoro-6H-Benzo[c][1]benzothiepin-11-ylidene)-N,N-Dimethyl-Propan-1-amine

This intriguing compound, with its complex structure and unique properties, has a variety of significant implications, especially in the field of medicinal chemistry. Below are some key insights about this compound:

  • Pharmaceutical Significance: Compounds that include a benzothiepin moiety are often explored for their potential therapeutic effects, particularly in neurological and psychiatric disorders. This particular compound's structure suggests it could play a role in drug development for conditions such as schizophrenia or depression.
  • Fluorination: The presence of fluorine atoms in its structure is notable. Fluorine is often incorporated into drug molecules to enhance their pharmacokinetic properties, improving absorption, distribution, and even metabolic stability. It also often leads to more potent compounds.
  • Synthesis Challenges: The synthesis of such a complex molecule is a subject of interest among organic chemists due to the need for precise control over reaction conditions to achieve the desired arrangement of atoms. Multistep synthetic routes with selective reactions can be quite challenging, making it a great subject for study in organic synthesis courses.
  • Potential Uses: Compounds like this one, characterized by the dimethylamine group, may exhibit interesting activities as modulators of neurotransmitter systems, which could lead to breakthroughs in understanding and treating mental health disorders.
  • Research Opportunities: The ongoing investigation into compounds with fused ring systems, such as this one, opens up various avenues for research, including structure-activity relationship (SAR) studies aimed at refining the efficacy and safety profiles of similar compounds.

In conclusion, 3-(3,8-Difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethyl-propan-1-amine serves as an excellent example of how complex chemical structures can lead to functional versatility in drug development. This compound indeed inspires further investigation into its potential applications and properties.