Skip to main content

(2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate

ADVERTISEMENT
Identification
Molecular formula
C13H7INO4
CAS number
.534-04-57
IUPAC name
(2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate
State
State
At room temperature, the compound is in a solid state, specifically presenting as a crystalline powder. This state is typical for aromatic esters with bulky substituents.
Melting point (Celsius)
108.70
Melting point (Kelvin)
381.85
Boiling point (Celsius)
428.70
Boiling point (Kelvin)
701.85
General information
Molecular weight
349.10g/mol
Molar mass
349.1030g/mol
Density
1.6745g/cm3
Appearence
The compound appears as a yellow crystalline solid with distinct characteristics. The crystalline form provides it with sharp edges and a structured appearance typical of many organic aromatic compounds with nitro groups.
Comment on solubility

Solubility of (2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate

The solubility of (2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate can be quite interesting due to its unique structural features. Here are some considerations regarding its solubility:

  • Polarity: The presence of the 4-nitrobenzoate group suggests that the compound may exhibit polar characteristics, which could facilitate its solubility in polar solvents.
  • Hydrogen Bonding: Functional groups in the structure might engage in hydrogen bonding, impacting the solubility not only in polar solvents like water, but also in alcohols.
  • Temperature and Solvent Effects: Solubility can vary significantly with changes in temperature and the type of solvent used. High temperatures often increase solubility, while solvent choice (such as ethanol versus chloroform) plays a crucial role.
  • Concentration Considerations: Depending on the concentration of the solution, saturation limits will determine whether the compound remains soluble or precipitates out.

Overall, while definitive solubility data may be limited, the characteristics associated with the substituents in (2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate indicate that further experimental investigation could reveal valuable insights into its solubility behavior.

Interesting facts

Interesting Facts about (2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate

The compound (2-iodo-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate is a fascinating example of organic chemistry that showcases the beautiful complexity of molecular structures and functional groups. Here are some intriguing aspects about this compound:

  • Synthetic Utility: This compound has potential in organic synthesis as it can serve as a versatile intermediate for the manufacture of more complex molecules. Its unique structure allows for various chemical modifications.
  • Ring Structure: The presence of a cycloheptatriene ring introduces interesting properties, particularly in the context of reactivity and stability compared to its analogues with different ring sizes.
  • Electrophilic Nature: The 4-nitrobenzoate moiety is an electron-withdrawing group, enhancing the electrophilicity of the benzoyl moiety, which can facilitate reactions like nucleophilic acyl substitution.
  • Medical Research: Compounds similar to this one are often investigated for medicinal chemistry applications, especially in searching for novel anti-cancer or anti-inflammatory agents, due to their unique structural attributes.
  • Planning and Strategy: In the lab, chemists might approach the synthesis of this compound using multi-step synthetic strategies, meticulously planning each stage to achieve the desired product while minimizing side reactions.
  • Research Opportunities: There remains significant room for research around the reactivity and potential biological activities of this compound, making it an exciting subject for future studies.

As this compound is explored further in both academic and industrial settings, it may pave the way for breakthroughs in various fields of chemistry. It serves as a vivid reminder of the profound connections between molecular structure and functional outcomes.

Synonyms
2961-87-7
I0MHR2XFA0
NSC 85776
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE
BRN 2001865
UNII-I0MHR2XFA0
NSC-85776
2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate
DTXSID10183797
DTXCID50106288
NSC85776
CHEMBL1993051
WLN: L7VJ BOVR DNW& CI
2-Hydroxy-3-iodo-2,6-cycloheptatrien-1-one p-nitrobenzoate
2,6-Cycloheptatrien-1-one, 2-hydroxy-3-iodo-, p-nitrobenzoate