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Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate

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Identification
Molecular formula
C10H11F6O4
CAS number
71264-69-4
IUPAC name
ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
State
State

At room temperature, ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate is in a liquid state. Its relatively low boiling point indicates it remains fluid under standard conditions typically encountered outside of a laboratory environment.

Melting point (Celsius)
-5.00
Melting point (Kelvin)
268.15
Boiling point (Celsius)
154.00
Boiling point (Kelvin)
427.15
General information
Molecular weight
270.14g/mol
Molar mass
270.1420g/mol
Density
1.4000g/cm3
Appearence

Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate is typically a colorless liquid. The compound's unique fluorinated structure gives it a distinct appearance, often associated with a clear and somewhat oily consistency.

Comment on solubility

Solubility of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate

Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate, with its complex structure, presents intriguing characteristics regarding its solubility. The solubility of this compound can be influenced by several factors, including:

  • Polarity: The presence of multiple fluorine atoms and hydroxyl groups contributes to its polar nature, which often enhances solubility in polar solvents such as water.
  • Hydrogen bonding: The hydroxyl group allows for strong hydrogen bonding interactions, facilitating dissolution in polar solvents.
  • Compatibility with organic solvents: This compound may also dissolve well in various organic solvents, owing to its ester functional group and overall molecular structure.

While it is challenging to generalize without empirical data, one might predict that the compound demonstrates reasonable solubility in:

  • Water: due to its hydroxyl functionality
  • Ethanol: another polar solvent that can solvate the compound
  • Chloroform or DMSO: as non-polar or moderately polar organic solvents may help dissolve less polar components of the compound

In conclusion, the solubility behavior of ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate is a product of its intricate balance of functional groups, making it a subject of interest in chemical analysis and application. As the saying goes, "the structure determines the solubility," and this compound exemplifies that principle succinctly.

Interesting facts

Interesting Facts about Ethyl 2-Acetyl-4,4,4-Trifluoro-3-Hydroxy-3-(Trifluoromethyl)butanoate

Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate represents a fascinating class of compounds that merges both organic and fluorinated chemistry. Here are some intriguing insights:

  • Fluorinated Compounds: The presence of trifluoromethyl groups significantly influences the chemical properties and reactivity of this compound. Fluorine is known for increasing the lipophilicity of compounds, which can impact drug design and biological activity.
  • Versatile Applications: Compounds such as this one are often utilized in pharmaceuticals and agrochemicals due to their unique reactivity. Ethyl esters are commonly precursors in various organic synthesis pathways.
  • Biological Importance: The introduction of hydroxy and acetyl groups can enhance the biological activity of compounds, making them of interest in medicinal chemistry.
  • Research Potential: Scientists are actively exploring the properties of trifluorinated compounds for their unique stability and how they can be harnessed in developing new materials and drugs.
  • Structure-Property Relationship: Understanding how the arrangement of the trifluoromethyl groups affects the compound's reactivity and interaction with biological systems is ongoing research, providing a rich ground for study.

In summary, ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate bridges multiple fields of chemistry and biology. Its distinctive structure and properties make it a subject of profound interest for chemists aiming to unlock new avenues in material science and pharmaceuticals.

Synonyms
680-09-1
2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester
ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
BRN 1914874
Butyric acid, 2-acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester
DTXSID50987418
DB-202753
Butanoic acid, 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-, ethyl ester