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Bromacetone

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Identification
Molecular formula
C3H5BrO
CAS number
598-31-2
IUPAC name
(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) 2-bromoacetate
State
State

At room temperature, bromacetone is a liquid.

Melting point (Celsius)
5.00
Melting point (Kelvin)
278.15
Boiling point (Celsius)
137.00
Boiling point (Kelvin)
410.15
General information
Molecular weight
168.99g/mol
Molar mass
168.9860g/mol
Density
1.3061g/cm3
Appearence

Bromacetone is a colorless liquid when pure, yet commercial samples can appear yellowish due to impurities. It has a pungent and irritating smell, similar to the odor of acetone.

Comment on solubility

Solubility of (10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) 2-bromoacetate

The solubility of the compound (10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) 2-bromoacetate represented by the chemical formula C3H5BrO, can be assessed based on its molecular structure and functional groups. Here are some points to consider:

  • Polarity: The presence of the bromoacetate group introduces polar characteristics to an otherwise large hydrocarbon structure.
  • Solvent Interaction: The compound is likely to exhibit solubility in polar solvents like water or methanol due to the polar bromoacetate moiety.
  • Hydrophobic Regions: The extended hydrocarbon character of the tetradecahydrocyclopenta[a]phenanthren core suggests reduced solubility in non-polar solvents.
  • Temperature Effects: Solubility may vary with temperature, potentially increasing at elevated temperatures.
  • Applications: Understanding solubility is critical for applications in medicinal chemistry, particularly in bioavailability and formulation development.

In conclusion, while the hydrophobic nature may limit solubility in non-polar environments, the polar functional groups enhance solubility in polar solvents, underscoring the compound's complexity in solubility behavior.

Interesting facts

Interesting Facts about 10,13-Dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl 2-Bromoacetate

The compound known as 10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl 2-bromoacetate represents a fascinating intersection of organic chemistry and medicinal chemistry. This compound exhibits structural complexity, boasting multiple functional groups that contribute to its potential various applications.

Key Features of the Compound:

  • Functional Versatility: The presence of both a ketone and a bromoacetate functional group offers unique pathways for chemical reactivity, potentially allowing for selective transformations.
  • Structural Complexity: This compound consists of a tetradecahydrocyclopenta[a]phenanthren core, a unique structure inspired by steroid-like frameworks, which often demonstrate interesting biological activities.
  • Potential Therapeutic Uses: Compounds with similar structural motifs have been explored for their pharmacological properties, including anti-cancer, anti-inflammatory, and other biologically relevant activities.

As a chemistry student or scientist, one can appreciate the intricate balances of sterics and electronics within this compound, providing numerous platforms for further investigation. Furthermore, synthetic challenges imposed by its complex carbon framework make it an excellent subject for advanced synthetic methodologies, complete with potential implications in drug discovery.

In synthesis, understanding compounds like this one can significantly enhance our grasp of chemical intricacies and scaffold diversity, leading to innovations within pharmaceutical chemistry.