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Sodium theophylline-7-acetic acid benzylthioester

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Identification
Molecular formula
C18H17N5NaO4S
CAS number
1094-61-7
IUPAC name
sodium;2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzoate
State
State

At room temperature, sodium theophylline-7-acetic acid benzylthioester is typically found as a solid. It is generally stored at room temperature in a dry, well-ventilated place, away from incompatible substances and sources of moisture.

Melting point (Celsius)
230.00
Melting point (Kelvin)
503.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
416.44g/mol
Molar mass
416.4390g/mol
Density
1.4500g/cm3
Appearence

Sodium theophylline-7-acetic acid benzylthioester appears as a white to off-white crystalline powder. Its appearance can be affected by factors such as the presence of impurities and the specific form (hydrate, anhydrous) in which it is prepared. It is typically stable under ordinary conditions of use and storage.

Comment on solubility

Solubility of Sodium 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzoate

The solubility of Sodium 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzoate is influenced by several factors. This compound is a sodium salt of a benzoate, which generally enhances its solubility in aqueous solutions. Here are some key points regarding its solubility:

  • Solvent Polarity: Given that this compound contains both polar and nonpolar segments, it is expected to exhibit better solubility in polar solvents such as water.
  • Temperature Dependency: Like many salts, its solubility may increase with temperature, leading to more effective dissolution in warmer conditions.
  • pH Influence: The compound’s solubility might also be affected by the pH of the solution, as the acidic or basic environment could influence its ionization state.
  • Ionic Nature: The presence of the sodium ion often contributes to enhanced solubility due to its ability to stabilize the dissolved species in solution.

In conclusion, while specific solubility data for Sodium 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzoate may not be readily available, one can assert that its solubility is likely favorable in aqueous environments due to its ionic nature and the influence of surrounding solvent conditions. As always, performing direct solubility tests under controlled conditions would yield the most accurate insights.

Interesting facts

Interesting Facts About Sodium; 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzoate

This compound is a fascinating example of a sulfur-containing derivative that showcases the intricate relationships between various functional groups. Here are some interesting aspects:

  • Biological Relevance: The compound features a purine base, which is fundamental in various biological processes. Purines are key components of nucleotides, the building blocks of DNA and RNA.
  • Synthetic Versatility: The presence of the sulfanyl (thioether) group opens up possibilities for further chemical modifications, making it a useful compound in synthetic organic chemistry.
  • Medicinal Potential: Compounds that incorporate purine derivatives are often explored for their pharmacological properties. This compound could potentially have activity similar to known purine analogs.
  • Structure Activity Relationship: Understanding how structural modifications influence the biological activity aids researchers in developing new drugs. The unique arrangement of the sulfanyl and benzoate moieties in this compound may reveal new insights.
  • Electrochemical Applications: Due to the presence of functional groups that can participate in various redox reactions, compounds like this may find applications in electrochemistry or materials science.

In summary, sodium; 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]benzoate is not just a chemical entity, but a potential gateway to discovering new biological and chemical phenomena. As a chemistry student or a researcher, exploring such compounds can evoke a deeper appreciation for the complexity of molecular interactions in nature.