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Tocopherol Derivative

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Identification
Molecular formula
C33H46N6O2
CAS number
654066-84-5
IUPAC name
2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol
State
State

At room temperature, the compound is in a liquid state. It is not volatile and remains stable under standard conditions of temperature and pressure.

Melting point (Celsius)
2.50
Melting point (Kelvin)
275.65
Boiling point (Celsius)
528.00
Boiling point (Kelvin)
801.15
General information
Molecular weight
554.78g/mol
Molar mass
554.7780g/mol
Density
1.1200g/cm3
Appearence

This compound is typically found as a pale yellow to brown viscous liquid. Appearance may vary slightly based on purity and environmental conditions. It is generally clear and might possess a slight odor.

Comment on solubility

Solubility Characteristics of 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol

The solubility of the compound 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol (C33H46N6O2) can be influenced by several factors due to its complex structure.

Factors Affecting Solubility

  • Polarity: The presence of multiple functional groups, such as hydroxyl (-OH) and nitrogen-containing moieties, may enhance solubility in polar solvents.
  • Molecular Size: The large size of the molecule may limit its solubility in less polar solvents.
  • Hydrogen Bonding: Potential hydrogen bonding interactions increase solubility in polar solvents such as water, while decreasing in organic solvents.

Experimental solubility may show a trend of moderate solubility in water and greater solubility in organic solvents like ethanol and dimethyl sulfoxide (DMSO). However, the specific solubility characteristics can vary dramatically based on temperature and concentration.

General Observations

  • This compound likely exhibits a moderate to high solubility in polar solvents.
  • In non-polar solvents, solubility may be considerably lower, consistent with its large hydrophobic portions.
  • Overall, its solubility profile emphasizes the importance of hydrogen bonding and molecular interactions.

In conclusion, while exact solubility values could vary, understanding these factors is essential for anticipation of the compound's behavior in various solvent systems.

Interesting facts

Exploring 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol

This compound is a fascinating member of the class of chemicals known as flavonoids, exhibiting complex structural features that invoke interest among chemists. Here are some engaging facts about it:

  • Complex Structure: The presence of multiple functional groups, including pyrimidine and piperazine moieties, reflects the compound's versatility in biological activity.
  • Potential Biological Activity: With its intricate design, this compound could exhibit a range of pharmacological activities. Research suggests that similar compounds are often investigated for their roles in antioxidant, anti-inflammatory, and antimicrobial properties.
  • Medicinal Chemistry: The structural resemblance to other bioactive compounds hints at potential application in drug design, providing a framework for modifications aimed at enhancing target affinity and therapeutic efficacy.
  • Research Implications: The unique combination of features in this compound opens the door to explorations in areas like neuroscience and oncology, making it a candidate for studies aimed at treating neurodegenerative diseases or cancer.
  • Interdisciplinary Interest: Beyond medicinal applications, this compound may pique the interest of organic chemists, material scientists, and biochemists, bridging multiple fields of research.

As you explore the potential of 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol, remember the significance of its design; it is a beautiful example of how aromatic chemistry can lead to meaningful biological discoveries. One might say, “The beauty of chemistry lies in its ability to connect seemingly unrelated worlds.”

Synonyms
122003-11-6
2-((4-(2,6-Di(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)methyl)-2,5,7,8-tetramethylchroman-6-ol
U-78517F
Lopac0_001225
CHEMBL141343
SCHEMBL6433736
AKOS025394266
CCG-205299
SMP2_000285
HY-164295