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3-(1H-indol-3-yl)-1,4-benzoxazin-2-one

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Identification
Molecular formula
C16H10N2O2
CAS number
116404-47-4
IUPAC name
3-(1H-indol-3-yl)-1,4-benzoxazin-2-one
State
State

At room temperature, 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one is in a solid state. The solid is characterized by its stability under standard conditions, and it does not readily dissolve in water, requiring organic solvents for dissolution.

Melting point (Celsius)
265.50
Melting point (Kelvin)
538.65
Boiling point (Celsius)
485.20
Boiling point (Kelvin)
758.35
General information
Molecular weight
276.27g/mol
Molar mass
276.2700g/mol
Density
1.3500g/cm3
Appearence

3-(1H-indol-3-yl)-1,4-benzoxazin-2-one typically appears as a crystalline solid. The compound is often off-white to pale yellow in color. Its appearance depends on its purity and various physical processing conditions.

Comment on solubility

Solubility of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one

The solubility of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one is a crucial factor for its application in biochemical studies and synthetic processes. Understanding its solubility characteristics can significantly impact its usage in various formulations and reactions.

Solubility Characteristics

The solubility of this compound is influenced by several factors:

  • Polarity: The molecular structure, characterized by its indole and benzoxazinone rings, affects its polarity, which in turn influences solubility in different solvents.
  • Solvent Type: Typically, this compound shows better solubility in organic solvents such as dimethyl sulfoxide (DMSO) and dimethylformamide (DMF).
  • Temperature: Increasing the temperature can often enhance solubility, making it easier to dissolve in various solvents.

Moreover, it is important to note that the solubility can vary under different pH conditions due to the potential protonation of functional groups within the molecule. As a rule of thumb, many compounds like 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one tend to be more soluble in basic solutions compared to acidic ones. Therefore, it is essential for researchers and chemists to consider these variables when preparing solutions or conducting reactions involving this compound.

Conclusion

In summary, the solubility of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one is crucial for its effective utilization in laboratories and industry. Understanding its behavior in various solvents and conditions will pave the way for optimized applications.

Interesting facts

Interesting Facts about 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one

3-(1H-indol-3-yl)-1,4-benzoxazin-2-one is a fascinating compound notable for its unique structure and potential biological activities. Here are some intriguing points about this compound:

  • Structural Significance: The compound features a benzoxazine scaffold fused with an indole moiety, which is widely found in various natural products and bioactive compounds. This combination results in unique chemical properties and enhanced interactions with biological targets.
  • Pharmacological Potential: Indole derivatives, including 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one, have been studied for their various pharmacological activities. This compound may exhibit properties such as antioxidant, anti-inflammatory, and even anticancer effects.
  • Natural Occurrence: Compounds related to 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one can be found in several plant species. Their presence often contributes to the plants’ defense mechanisms against herbivores and pathogens.
  • Synthetic Approaches: The synthesis of this compound often involves multi-step reactions, showcasing the creativity required in organic chemistry. Various methods have been reported, allowing for modifications that can change its biological efficacy.
  • Experts' Insights: Chemists have noted that derivatives of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one provide a promising avenue for drug development. As one researcher put it, "Understanding the chemistry behind such compounds can unlock new therapeutic pathways."

In conclusion, 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one is not just a chemical compound but a potential key to new discoveries in medicinal chemistry. Its unique structure and biological significance make it a subject of great interest in both academic and pharmaceutical research.

Synonyms
3-Indol-3-yl-2H-1,4-benzoxazin-2-one
BRN 0539517
2H-1,4-BENZOXAZIN-2-ONE, 3-INDOL-3-YL-
5543-37-3
3-(1H-Indol-3-yl)-2H-benzo[b][1,4]oxazin-2-one
NSC711808
SCHEMBL18593298
NSC-711808