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Theophylline

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Identification
Molecular formula
C7H8N4O2
CAS number
58-55-9
IUPAC name
8-[2-(diethylamino)ethylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione
State
State

At room temperature, Theophylline is in a solid state.

Melting point (Celsius)
272.00
Melting point (Kelvin)
545.15
Boiling point (Celsius)
412.00
Boiling point (Kelvin)
685.15
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.2345g/cm3
Appearence

Theophylline typically appears as a white crystalline powder. It has a bitter taste. The crystals are often elongated, and under a microscope, they may appear as needles.

Comment on solubility

Solubility of 8-[2-(diethylamino)ethylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione

The solubility of the compound 8-[2-(diethylamino)ethylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione is an important factor to consider in various applications, particularly in pharmaceuticals. Here are some key points regarding its solubility:

  • Polar Characteristics: Due to the presence of the diethylamino and sulfanyl functional groups, this compound exhibits polar characteristics, which could enhance its solubility in polar solvents such as water.
  • Hydrophobic Region: However, the overall hydrophobic nature of the purine core may limit its solubility in highly polar solvents.
  • Solubility Factors: Factors influencing solubility include:
    • Temperature: Increased temperature often leads to enhanced solubility.
    • pH Levels: The dissociation of functional groups can vary with pH, significantly affecting solubility.
    • Solvent Type: Compatibility with different solvents determines overall solubility behavior.
  • Practical Implications: Understanding solubility is crucial for:
    • Dosage formulation in pharmaceuticals.
    • Predicting bioavailability and efficacy of the compound.
    • Formulating method for synthesis and handling procedures.

In summary, the solubility of 8-[2-(diethylamino)ethylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione is influenced by a complex interplay of its chemical structure and environmental factors, making it a vital consideration in its practical applications.

Interesting facts

Interesting Facts about 8-[2-(diethylamino)ethylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione

This compound, commonly known as a powerful stimulant, is primarily associated with the well-known substance caffeine. More specifically, it is a derivative of purine, which plays a crucial role in various biological processes in living organisms.

Biological Role

As a derivative of purine, this compound exhibits interesting interactions within biological systems:

  • Stimulant Effect: Known for its ability to enhance alertness and reduce fatigue, it acts on the central nervous system.
  • Metabolism: This compound is related to the metabolism of energy and may influence various metabolic pathways.
  • Neurotransmitter Modulation: It can modulate the release of neurotransmitters, significantly affecting mood and cognitive functions.

Synthesis and Applications

The synthesis of this compound can be achieved through various methods, combining different chemical structures to produce its unique characteristics. It is noteworthy for:

  • Pharmaceutical Use: It is often studied for its potential therapeutic effects.
  • Research Applications: As a model compound, it is used in the study of related systems in biochemistry and pharmacology.
  • Analytical Chemistry: Chemists often use it as a standard in various analytical techniques.

Structural Features

The unique structure of this compound includes a sulfanyl group, which adds to its complexity and influences its behavior. Some remarkable points include:

  • Functional Groups: The presence of diethylamino and sulfanyl groups enhances its reactivity and solubility, expanding its potential applications.
  • Isomerism: As with many organic compounds, isomerism can lead to variations in activity and properties, making study and characterization essential.

In conclusion, 8-[2-(diethylamino)ethylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione is not just a compound of interest due to its core structure but also for its profound biological effects and applications in the fields of pharmacology and research. As science progresses, understanding such compounds will continue to reveal new insights into their potential benefits and uses.