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5-Chlorobenzoxazol-2-one

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Identification
Molecular formula
C10H11ClN2O2
CAS number
104376-79-6
IUPAC name
5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one
State
State

At room temperature, 5-Chlorobenzoxazol-2-one is typically found in a crystalline solid state.

Melting point (Celsius)
118.00
Melting point (Kelvin)
391.15
Boiling point (Celsius)
275.00
Boiling point (Kelvin)
548.15
General information
Molecular weight
220.65g/mol
Molar mass
220.6500g/mol
Density
1.3520g/cm3
Appearence

The compound typically appears as an off-white to pale yellow crystalline powder. The color and exact form may vary slightly depending on purity and specific formulation.

Comment on solubility

Solubility of 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one

The solubility of 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one is influenced by various factors related to its chemical structure. Understanding the solubility behavior of this compound can guide its applications in different fields. Here are some key points to consider:

  • Polarity: The presence of the dimethylamino group increases the overall polarity of the molecule, which may enhance its solubility in polar solvents.
  • Hydrophobic Interactions: The benzoxazole ring system may introduce hydrophobic characteristics, affecting solubility in aqueous environments.
  • Solvent Type: This compound is likely to be more soluble in organic solvents such as ethanol and dichloromethane compared to water.

It's also crucial to note that environmental factors such as temperature can significantly affect solubility. As the temperature increases, it is often observed that solids dissolve better in liquids. Therefore, the solubility of 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one could potentially be enhanced under elevated temperatures. In summary, while the exact solubility of this compound should be determined experimentally, its chemical structure suggests a tendency towards improved solubility in polar organic solvents, with notable implications for its practical use in various applications.

Interesting facts

Interesting Facts About 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one

This intriguing compound, 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one, belongs to a class of chemicals known as benzoxazoles. Benzoxazoles are recognized for their diverse biological activities, making them significant in medicinal chemistry.

Key Highlights:

  • Biological Relevance: Compounds within the benzoxazole family have been found to exhibit a range of pharmacological properties, including anti-cancer, anti-bacterial, and anti-inflammatory effects.
  • Chlorine Substitution: The presence of chlorine in the structure can enhance the compound's reactivity, stability, and lipophilicity, potentially influencing its biological activity.
  • Dimethylamino Group: The dimethylamino group is known for its role in increasing solubility and can significantly impact the pharmacodynamics of the compound, leading to enhanced therapeutic efficacy.

Scientists are particularly fascinated by the structure-activity relationship (SAR) of these compounds. Understanding how variations in the benzoxazole structure influence their behavior allows for the design of more effective compounds. As stated by one researcher, "the manipulation of functional groups often leads to the discovery of novel therapeutic agents."

In the realm of synthetic chemistry, 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one serves as a valuable intermediate. Its versatility enables chemists to explore various applications, from pharmaceuticals to agrochemicals.

In summary, 5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one is not merely a compound; it's a gateway to understanding complex biological interactions and inspiring new innovative chemical syntheses.

Synonyms
19986-35-7
BRN 1215691
2-BENZOXAZOLINONE, 5-CHLORO-3-((DIMETHYLAMINO)METHYL)-
5-Chloro-3-(dimethylaminomethyl)-2-benzoxazolinone
DTXSID20173801
DTXCID3096292
RefChem:256430
5-Chloro-3-[(dimethylamino)methyl]benzoxazol-2(3H)-one
5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one