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Theophylline

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Identification
Molecular formula
C7H8N4O2
CAS number
58-55-9
IUPAC name
1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
State
State

Theophylline is a solid under standard conditions, being most commonly encountered as a crystalline powder. It is stable under normal temperatures and pressures.

Melting point (Celsius)
271.00
Melting point (Kelvin)
544.00
Boiling point (Celsius)
545.70
Boiling point (Kelvin)
818.90
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.2100g/cm3
Appearence

Theophylline is a white crystalline powder. It appears mostly as colorless prisms or crystals. As a compound that is often encountered in medicinal contexts, it is typically provided as a fine powder for ease of dissolution and dosage.

Comment on solubility

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

1,3-dimethyl-8-phenyl-7H-purine-2,6-dione, represented by the chemical formula C7H8N4O2, exhibits intriguing solubility characteristics that can impact its applications and behavior in different environments. Here are some essential points regarding its solubility:

  • Solvent Dependence: This compound's solubility can vary significantly between different solvents. It is generally more soluble in organic solvents, such as ethanol and dimethyl sulfoxide (DMSO), rather than in polar solvents like water.
  • Hydrophobic Nature: The presence of bulky phenyl groups in its structure contributes to its hydrophobic characteristics, leading to poor solubility in aqueous solutions.
  • Temperature Considerations: Increasing temperature often enhances solubility for many organic compounds; thus, heating could aid in dissolving this purine derivative in suitable solvents.
  • Potential pH Influence: The solubility may also be influenced by the pH of the solution, as functional groups may ionize or protonate under different conditions, altering solubility.

In conclusion, 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione demonstrates selective solubility properties that should be carefully considered during its utilization in organic synthesis or pharmaceutical applications. Understanding these solubility traits allows chemists and scientists to predict and optimize its behavior in various contexts.

Interesting facts

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

1,3-Dimethyl-8-phenyl-7H-purine-2,6-dione, commonly referred to as a derivative of the purine alkaloid family, is a fascinating compound with various implications in both biological and medicinal chemistry.

Key Characteristics

  • Purine Core: This compound features a purine base, which is a fundamental structure in many biologically important molecules, including DNA and RNA, emphasizing the compound's relevance in genetic studies.
  • Methyl Groups: The addition of dimethyl groups enhances the lipophilicity of the structure, which can influence its absorption and bioavailability when studied in pharmacology.
  • Phenyl Group: The presence of a phenyl moiety contributes to the compound's potential for engaging in π-π stacking interactions, making it a candidate for some complex biological systems.

Applications

The compound is of interest in various research areas:

  • Pharmaceutical Research: Studies suggest that derivatives like this compound may possess beneficial pharmacological properties, which could lead to new therapeutic agents.
  • Biochemical Studies: Its structural analogs are often used in research settings to understand enzyme activity, receptor binding, and other biochemical pathways.

Cultural and Historical Significance

Purine derivatives such as this one have a rich history, primarily associated with:

  • The development of numerous medical therapies, including anti-inflammatory and anti-cancer drugs.
  • Being pivotal in the synthesis of coenzymes, which are essential for numerous biological functions.

In summary, 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione is not just a simple chemical entity; it serves as a bridge between fundamental biochemistry and applied pharmaceutical science. Its structural elements underline the intricacies of molecular interactions and the wealth of opportunities for exploration within medicinal chemistry.

Synonyms
8-Phenyltheophylline
961-45-5
1,3-Dimethyl-8-phenylxanthine
1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
Theophylline, 8-phenyl-
UNII-E6M543P3BL
NSC 14127
8-PHENYL THEOPHYLLINE
8-PT
E6M543P3BL
8-Phenyl-1,3-dimethylxanthine
NSC-14127
CHEMBL62350
DTXSID90242119
MFCD00005582
1,3-dimethyl-8-phenyl-3,9-dihydro-1h-purine-2,6-dione
3,7-dihydro-1,3-dimethyl-8-phenyl-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-phenyl-
1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl-
3,9-DIHYDRO-1,3-DIMETHYL-8-PHENYL-1H-PURINE-2,6-DIONE
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-PHENYL-
Lopac-P-2278
Lopac0_000917
Oprea1_390706
MLS000069624
SCHEMBL516432
1,3-dimethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione
BDBM82015
1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
DTXCID40164610
HMS3262H16
CAS_1922
NSC_1922
NSC14127
Tox21_500917
BDBM50391224
PDSP1_000322
PDSP1_000327
PDSP2_000320
PDSP2_000325
STL293634
AKOS002153928
AKOS015905559
CCG-204999
LP00917
SDCCGSBI-0050892.P002
NCGC00015807-01
NCGC00015807-02
NCGC00015807-03
NCGC00015807-04
NCGC00015807-06
NCGC00094228-01
NCGC00094228-02
NCGC00261602-01
FP165348
PD015130
SMR000058251
1,3-Dimethyl-8-phenylxanthine crystalline
DB-057624
CS-0044810
EU-0100917
VU0254233-3
P 2278
SR-01000076062
1,3-DIMETHYL-8-PHENYLXANTHINE, CRYSTALLINE
Q4644289
SR-01000076062-1
1,3-Dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione
1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione
1,3-dimethyl-8-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-phenyl-(9CI)