Skip to main content

Theobromine

ADVERTISEMENT
Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
8-benzyl-1,3,7-trimethyl-purine-2,6-dione
State
State

At room temperature, theobromine is in a solid state as a bitter, crystalline alkaloid.

Melting point (Celsius)
357.00
Melting point (Kelvin)
630.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.3829g/cm3
Appearence

Theobromine appears as a white or colourless crystalline powder. It is known for its distinct bitter taste, which is somewhat similar to that of caffeine.

Comment on solubility

Solubility of 8-benzyl-1,3,7-trimethyl-purine-2,6-dione

The solubility of 8-benzyl-1,3,7-trimethyl-purine-2,6-dione is of interest due to its structural characteristics and potential applications. This compound, which belongs to the purine class, exhibits specific solubility behavior that can be influenced by several factors:

  • Polarity: The presence of multiple methyl groups may enhance its non-polar characteristics, affecting its solubility in various solvents.
  • Hydrogen Bonding: Functional groups capable of hydrogen bonding could enhance solubility in polar solvents like water.
  • Temperature: Generally, solubility can increase with temperature; thus, the investigation at varying temperatures could yield differing solubility profiles.
  • pH Levels: Changes in pH can alter the ionization state of the compound, further impacting its solubility.

In general, the solubility of purine derivatives like this one can vary significantly based on the above factors, and experimental data may be necessary to ascertain precise values. Some common observations regarding solubility include:

  • Solved in: Organic solvents such as dimethyl sulfoxide (DMSO) or ethanol.
  • Less soluble in: Polar protic solvents like water without proper functional modifications.

Ultimately, understanding the solubility characteristics of 8-benzyl-1,3,7-trimethyl-purine-2,6-dione is crucial for its applications in pharmaceuticals, where solubility can dictate bioavailability and efficacy.

Interesting facts

Interesting Facts about 8-Benzyl-1,3,7-trimethyl-purine-2,6-dione

8-Benzyl-1,3,7-trimethyl-purine-2,6-dione, often known by its more common name, is a fascinating compound primarily known for its resemblance to caffeine. Here are some intriguing insights into this compound:

  • Caffeine Analogue: This compound is a structural analogue of caffeine, making it a subject of interest for research in the field of pharmacology due to its potential effects on human physiology.
  • Stimulatory Properties: Just like caffeine, it may exhibit stimulatory effects on the central nervous system, potentially influencing alertness and cognitive function.
  • Tailored Applications: The unique structure, featuring a benzyl group, may afford specific properties that could be tailored for use in different pharmaceutical applications or as research tools.
  • Natural Occurrence: As a purine derivative, it fits into a broader category of compounds that are frequently found in biological systems, particularly in nucleic acids like DNA and RNA.
  • Research Value: Scientists are intrigued by its capacity to bind to adenosine receptors, akin to caffeine, which could have implications for designing new drugs aimed at various neurological conditions.

The exploration of 8-benzyl-1,3,7-trimethyl-purine-2,6-dione opens up discussions not only about its chemical properties but also its potential roles in health and medicine. The quote by renowned chemist Linus Pauling, "The best way to have a good idea is to have lots of ideas.", embodies the spirit of research surrounding such compounds, as each provides a stepping stone to novel discoveries.

Overall, the study of this compound emphasizes the intricate connections between chemistry, biology, and medicine, showcasing how small variations in chemical structure can lead to significant differences in biological activity and utility.

Synonyms
CAFFEINE, 8-BENZYL-
8-Benzylcaffeine
5426-88-0
H0O8QGM8ZC
MLS000737468
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(phenylmethyl)-
1,3,7-Trimethyl-8-(phenylmethyl)purine-2,6-dione
NSC-14396
8-Benzyl-caffeine
NSC 14396
BRN 0298246
NSC14396
UNII-H0O8QGM8ZC
8-benzyl-1,3,7-trimethylpurine-2,6-dione
Oprea1_300507
4-26-00-02535 (Beilstein Handbook Reference)
CHEMBL483661
SCHEMBL3099603
DTXSID50202618
CHEBI:121806
HMS2856D22
NCGC00246743-01
SMR000528153
Q27210378
1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-8-(phenylmethyl)-
1H-Purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8- (phenylmethyl)-
3,7-DIHYDRO-1,3,7-TRIMETHYL-8-(PHENYLMETHYL)-1H-PURINE-2,6-DIONE