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Theophylline-7-acetic acid

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Identification
Molecular formula
C9H10N4O4
CAS number
145-23-5
IUPAC name
2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid
State
State

At room temperature, Theophylline-7-acetic acid exists in a solid state. This makes it convenient to handle and store for industrial and laboratory purposes. The solid state ensures its stability for extended periods under suitable storage conditions.

Melting point (Celsius)
271.00
Melting point (Kelvin)
544.20
Boiling point (Celsius)
364.50
Boiling point (Kelvin)
637.70
General information
Molecular weight
252.20g/mol
Molar mass
252.2340g/mol
Density
1.3900g/cm3
Appearence

Theophylline-7-acetic acid is typically a white or off-white crystalline powder. Its crystal structure provides a distinct granular texture. The compound is stable under normal conditions, which makes it suitable for diverse applications in chemical research and pharmaceuticals.

Comment on solubility

Solubility of 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid

The solubility of 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid can be influenced by various factors. Here are some key points to consider:

  • Solvent Polarity: The polarity of the solvent used can greatly affect the solubility. Generally, polar solvents tend to dissolve polar compounds more effectively.
  • pH Levels: Since this compound is an acid, its solubility may vary significantly under different pH conditions, especially if the pH alters the ionization state of the compound.
  • Temperature: Increased temperature often leads to increased solubility for many organic acids, although there may be exceptions based on specific interactions.
  • Functional Groups: The presence of functional groups, such as carboxylic acid in this compound, can introduce hydrogen bonding capabilities, which may enhance solubility in polar solvents like water.

In essence, the solubility of 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid is a function of multiple interacting factors, and understanding these can aid in predicting and manipulating its solubility behavior in various environments.

Interesting facts

Interesting Facts about 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid

2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid is a fascinating compound that plays a critical role in various biochemical processes. Here are some intriguing aspects to consider:

  • Biological Significance: This compound is derived from purine metabolism and is involved in nucleic acid synthesis, which is essential for cell growth and division.
  • Research Applications: Due to its structural similarity to nucleic acids, scientists often study this compound in the context of genetic research, drug development, and cancer therapy.
  • Mechanism of Action: It functions as a substrate for certain enzymes, highlighting the intricate relationships between metabolic pathways and the compounds derived from them.
  • Molecular Diversity: The presence of the dimethyl and dioxo groups contributes to its unique chemical properties and reactivity, offering a wide range of potential derivatives that can be explored for various applications.
  • Potential Therapeutic Uses: Compounds similar to this one have been investigated for their potential to modulate biological pathways, providing new avenues for treating metabolic disorders and cancers.

"The beauty of chemistry lies in its ability to connect the microscopic world of molecules with the macroscopic world of life."

As research advances, the understanding of 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetic acid and its derivatives will undoubtedly lead to new discoveries, enhancing our comprehension of biological systems and therapeutic strategies.

Synonyms
1-Theobromineacetic acid
UNII-6XL1I8J8NT
2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
3,7-Dimethylxanthine-1-methanecarboxylic acid
EINECS 227-034-0
DTXSID50204672
1-THEOBROMINEACETIC ACID [MI]
3,6-dihydro-3,7-dimethyl-2,6-dioxo-1(2H)-purineacetic acid
3,6-DIHYDRO-2,6-DIKETO-3,7-DIMETHYL-1(2)-PURINEACETIC ACID
DTXCID80127163
5614-56-2
2-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid
(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid
6XL1I8J8NT
CHEMBL67109
caffeinic acid
1H-Purine-1-acetic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-
SCHEMBL356160
YCTSCXLOPJCPDH-UHFFFAOYSA-N
FAA61456
BDBM50113250
AKOS008045632
PD162653
NS00040797
EN300-10991
G41138
Q27265676
Z90662175
(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid