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6-Chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one

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Identification
Molecular formula
C11H11Cl2NO2
CAS number
67861-32-1
IUPAC name
6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
State
State

At room temperature, 6-Chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one is typically found in a solid state. It has a crystalline structure that is stable under normal laboratory conditions.

Melting point (Celsius)
74.00
Melting point (Kelvin)
347.15
Boiling point (Celsius)
337.00
Boiling point (Kelvin)
610.15
General information
Molecular weight
246.12g/mol
Molar mass
246.1240g/mol
Density
1.3440g/cm3
Appearence

The compound 6-Chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one typically appears as a white to off-white crystalline solid. Due to the presence of chlorine atoms, it may also have a very mild characteristic odor commonly associated with chlorinated organic compounds.

Comment on solubility

Solubility of 6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one

The solubility of 6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one can be categorized as follows:

  • Polar Solvents: This compound tends to demonstrate higher solubility in polar solvents such as water and ethanol, primarily due to the presence of the benzoxazinone structure, which can interact favorably with polar molecules.
  • Non-Polar Solvents: Conversely, its solubility in non-polar solvents like hexane is generally low. The chlorinated groups may confer some degree of hydrophobicity, which limits its dissolution in such environments.
  • Temperature Dependence: Solubility can also vary with temperature—many compounds often show increased solubility as temperature rises due to enhanced molecular motion and interactions.

It is important to note that solubility is not just about the solvent; the molecular structure plays a crucial role. The functional groups specifically influence how well a solute can interact with a solvent:

  • The presence of chlorine atoms may introduce steric hindrance and affect hydrogen bonding capabilities.
  • The benzoxazinone motif can stabilize some solvation interactions, which may contribute positively to solubility.

In conclusion, while the solubility of 6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one may be enhanced in certain conditions, understanding its behavior in various solvents is crucial for applications in pharmaceuticals and agrochemicals. Hence, conducting solubility experiments under controlled conditions is recommended for precise measurements.

Interesting facts

Interesting Facts about 6-Chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one

6-Chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one is a fascinating compound often studied for its diverse applications in the fields of organic chemistry and pharmaceutical science. Here are some notable aspects:

  • Chemical Structure: This compound features a benzoxazine ring, which is known for its rich reactivity and potential for diverse chemical transformations. The presence of chlorine atoms enhances its reactivity, making it an interesting target in synthetic chemistry.
  • Pharmacological Potential: Compounds similar to this one have been investigated for their potential roles as anti-cancer and anti-inflammatory agents. Researchers are continuously exploring how modifications in its structure can lead to improved biological activity.
  • Applications in Material Science: The unique properties of benzoxazine derivatives, including thermal stability and mechanical strength, make this compound a candidate for advanced materials. It's being studied for usage in epoxy resins and other polymers.
  • Synthesis Strategies: The synthesis of this compound can involve various methods, including cyclization reactions and electrophilic substitutions. Understanding these synthetic routes is crucial for chemists aiming to develop new derivatives with enhanced properties.

In conclusion, 6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one not only displays intriguing chemical properties but also represents a significant area of research in both medicinal and material chemistry. Its unique structure and potential applications highlight the continuous interplay between molecular design and real-world applications. As Albert Einstein once said, "The greatest scientists are artists as well," reflecting how creativity is essential in the search for new compounds and their uses.

Synonyms
1016-75-7
2,3-Dihydro-6-chloro-2-(2-chloroethyl)-4H-1,3-benzoxazin-4-one
BRN 1215717
4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-CHLORO-2-(2-CHLOROETHYL)-
DTXSID10906387
6-Chloro-2-(2-chloroethyl)-2H-1,3-benzoxazin-4-ol