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Theophylline

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Identification
Molecular formula
C13H16N4O2
CAS number
58-55-9
IUPAC name
1,3-diethyl-8-phenyl-7H-purine-2,6-dione
State
State

At room temperature, theophylline is a solid. It is often handled in powder form for its use in medicinal products. Due to its crystalline nature, it remains stable and is not volatile under normal conditions.

Melting point (Celsius)
271.00
Melting point (Kelvin)
544.15
Boiling point (Celsius)
401.00
Boiling point (Kelvin)
674.15
General information
Molecular weight
294.34g/mol
Molar mass
294.3360g/mol
Density
1.2000g/cm3
Appearence

Theophylline appears as a white, crystalline powder that is odorless. It has a bitter taste and is commonly used in a powdered form for pharmaceutical applications. The crystals are slightly hygroscopic, meaning they can absorb moisture from the air.

Comment on solubility

Solubility of 1,3-Diethyl-8-phenyl-7H-purine-2,6-dione

The solubility of 1,3-diethyl-8-phenyl-7H-purine-2,6-dione (C13H16N4O2) is an intriguing aspect that can influence its applications in various fields. Here are some key points regarding its solubility:

  • Polarity: The presence of multiple nitrogen and oxygen atoms in the compound contributes to its overall polarity, which plays a significant role in determining its solubility in different solvents.
  • Aqueous Solubility: This compound is generally considered sparingly soluble in water. Its polar structure does allow for some degree of interaction with water molecules, yet it is not highly soluble.
  • Organic Solvents: It tends to be more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO). This trait is beneficial for applications in organic synthesis and pharmaceutical formulations.
  • Solubility Product: The specific solubility product (Ksp) values should be considered for practical applications, especially in drug formulation and delivery systems.

To conclude, while 1,3-diethyl-8-phenyl-7H-purine-2,6-dione exhibits limited solubility in water, its solubility significantly increases in organic solvents, making it a versatile candidate in various chemical and pharmaceutical environments.

Interesting facts

Interesting Facts about 1,3-Diethyl-8-phenyl-7H-purine-2,6-dione

1,3-Diethyl-8-phenyl-7H-purine-2,6-dione, often referred to in scientific literature as a derivative of purine, is a fascinating compound with a variety of applications and properties. Here are some intriguing aspects of this compound:

  • Purine Derivative: As a purine derivative, it shares structural similarities with important biological molecules such as nucleotides, which are the building blocks of DNA and RNA. This positions it as a potential candidate for various biochemical studies.
  • Pharmacological Potential: Compounds like 1,3-diethyl-8-phenyl-7H-purine-2,6-dione have been investigated for their possible antitumor and anti-inflammatory activities. Some studies suggest that modifying the purine structure can lead to enhanced biological activity.
  • Intriguing Structure: The compound features multiple functional groups, including ethyl and phenyl groups, which can influence its reactivity and interactions in different environments. This structural complexity can lead to unique chemical properties that are of interest in medicinal chemistry.
  • Synthesis: The synthesis of this compound can involve various organic reactions, allowing for the exploration of synthetic methodologies in medicinal chemistry. Understanding the synthesis pathways not only provides insights into its chemistry but also broadens the horizon for creating novel analogs.
  • Research Applications: Research surrounding 1,3-diethyl-8-phenyl-7H-purine-2,6-dione can pave the way for new developments in drug design, especially in targeting specific enzymes or receptors implicated in various diseases.

In summary, 1,3-diethyl-8-phenyl-7H-purine-2,6-dione represents a valuable compound in both academic research and potential therapeutic applications. Its promising bioactive properties combined with its intricate structure provide ample opportunities for further exploration and characterization.

Synonyms
1,3-Diethyl-8-phenylxanthine
75922-48-4
DEPX
UNII-2KCV39GKGL
1,3-diethyl-8-phenyl-7H-purine-2,6-dione
2KCV39GKGL
8-Phenyl-1,3-diethylxanthine
CHEMBL11348
1H-Purine-2,6-dione,1,3-diethyl-3,9-dihydro-8-phenyl-
DTXSID80877797
1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro-8-phenyl-
1,3-Diethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione
1H-PURINE-2,6-DIONE, 1,3-DIETHYL-3,9-DIHYDRO-8-PHENYL-
1,3-Dithyl-8-phenylxanthine
Lopac-A-003
Lopac0_000125
GTPL445
1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione
SCHEMBL1321894
BDBM81971
DTXCID501015865
CAS_1328
NSC_1328
BDBM50391225
PDSP1_000323
PDSP1_000326
PDSP1_000991
PDSP2_000321
PDSP2_000324
PDSP2_000975
AKOS027378654
CCG-204220
NCGC00014999-01
NCGC00014999-02
NCGC00093616-01
A-003
EU-0100125
L001207
SR-01000075182
SR-01000075182-1
Q27077019
1,3-Diethyl-3,9-dihydro-8-phenyl-1H-purine-2,6-dione;8-Phenyl-1,3-diethylxanthine;DPX