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Theophylline

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Identification
Molecular formula
C7H8ClN4O2
CAS number
58-55-9
IUPAC name
8-chloro-1,3,7-trimethyl-purine-2,6-dione
State
State

At room temperature, theophylline is found in a solid state, typically as a powder.

Melting point (Celsius)
272.00
Melting point (Kelvin)
545.00
Boiling point (Celsius)
562.00
Boiling point (Kelvin)
835.00
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.5000g/cm3
Appearence

Theophylline is typically furnished as a white crystalline powder. It is odorless and has a bitter taste.

Comment on solubility

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

The solubility of 8-chloro-1,3,7-trimethyl-purine-2,6-dione is notably interesting, as it exhibits different behaviors in various solvents. Understanding its solubility can be critical for a range of applications in pharmaceuticals and biochemistry.

Factors Influencing Solubility

  • Polarity of the Solvent: 8-chloro-1,3,7-trimethyl-purine-2,6-dione tends to be more soluble in polar solvents due to its functional groups that can engage in hydrogen bonding.
  • Temperature: Increased temperatures generally enhance solubility, allowing the compound to dissolve more effectively.
  • pH Levels: The ionization state of the compound can vary with pH, thus influencing its overall solubility. In acidic or basic environments, solubility may significantly increase or decrease based on the protonation state of the nitrogen atoms present.

Common Solvents

Here are some common solvents and their expected interaction with 8-chloro-1,3,7-trimethyl-purine-2,6-dione:

  • Water: Moderate solubility due to polar interactions.
  • Ethanol: Higher solubility, benefiting from both polar and non-polar characteristics.
  • DMSO (Dimethyl Sulfoxide): Excellent solubility, often used in biological applications.

In summary, the solubility of 8-chloro-1,3,7-trimethyl-purine-2,6-dione is contingent upon the choice of solvent, temperature, and the pH of the solution. This interplay creates a complex landscape for its application in various fields, emphasizing the importance of selecting appropriate conditions for successful utilization.

Interesting facts

Interesting Facts About 8-Chloro-1,3,7-trimethyl-purine-2,6-dione

8-Chloro-1,3,7-trimethyl-purine-2,6-dione, often referred to as a member of the purine family, showcases the fascinating complexity and variability within nucleobase structures. This compound is particularly noteworthy for several reasons:

  • Biological Significance: It is a derivative of caffeine, which plays a significant role in stimulating central nervous system activity. Its structural modifications lead to interesting variations in biological effects, making it a subject of study in pharmacology.
  • Chemical Versatility: The presence of chlorine and methyl groups contributes to the compound's unique properties, leading to potential applications in medicinal chemistry. Researchers are interested in exploring how these modifications can affect interactions with biological targets.
  • Research Applications: Studies involving this compound have explored its properties in relation to anti-cancer and anti-inflammatory effects, creating a dialogue about its utility in designing new therapeutics.
  • Highlight of Purine Chemistry: As a derivative of purines, this compound provides insight into the diverse chemical behavior of purine derivatives. Purines are essential for various biological processes, including DNA and RNA synthesis, making them crucial in genetics and molecular biology.

In the words of chemist Richard Feynman, "What I cannot create, I do not understand." Understanding the molecular intricacies of compounds like 8-chloro-1,3,7-trimethyl-purine-2,6-dione truly reflects this sentiment, pushing the boundaries of chemical knowledge and application.

This compound not only expands our understanding of purine chemistry but also paves the way for innovative research avenues in pharmaceuticals and biochemistry. The ongoing exploration of such compounds fuels excitement and curiosity in the scientific community.

Synonyms
8-Chlorocaffeine
4921-49-7
CAFFEINE, 8-CHLORO-
NSC 6277
EINECS 225-552-1
8-Chloro-1,3,7-trimethylxanthine
UNII-297FVR09D5
BRN 0232628
1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3,7-trimethyl-
297FVR09D5
NSC-6277
DIMENHYDRINATE IMPURITY E
DTXSID00197722
5-26-14-00135 (Beilstein Handbook Reference)
DIMENHYDRINATE IMPURITY E [EP IMPURITY]
DIMENHYDRINATE IMPURITY E (EP IMPURITY)
DTXCID60120213
1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3,7-trimethyl-(9CI)
225-552-1
8-Chloro Caffeine
8-Chloro-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
8-chloro-1,3,7-trimethylpurine-2,6-dione
8-chloro-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8-Chloro-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
8-chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Caffeine, 8-chloro
SCHEMBL2496142
NSC6277
EAA92149
AKOS000271148
8-Chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (8-Chlorocaffeine)
PD166951
DB-242962
CS-0239431
NS00031874
EN300-21281
F70292
AB-323/25048559
Q27254399
1H-Purine-2, 8-chloro-3,7-dihydro-1,3,7-trimethyl-
8-Chloro-1,3,7-trimethyl-3,7-dihydropurine-2,6-dione
Z104495030