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3-allyl-5-chloro-1,3-benzoxazol-2-one

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Identification
Molecular formula
C10H8ClNO2
CAS number
5673-71-4
IUPAC name
3-allyl-5-chloro-1,3-benzoxazol-2-one
State
State

The compound is in a solid state at room temperature.

Melting point (Celsius)
72.00
Melting point (Kelvin)
345.15
Boiling point (Celsius)
369.15
Boiling point (Kelvin)
642.30
General information
Molecular weight
209.63g/mol
Molar mass
209.6300g/mol
Density
1.3550g/cm3
Appearence

3-Allyl-5-chloro-1,3-benzoxazol-2-one typically appears as a crystalline solid, often presenting a characteristic light color. The solid form can crystallize in various habits depending on the specific synthesis and purification process used.

Comment on solubility

Solubility of 3-allyl-5-chloro-1,3-benzoxazol-2-one

The solubility of 3-allyl-5-chloro-1,3-benzoxazol-2-one is influenced by its unique chemical structure and the intermolecular interactions it can engage in. This compound exhibits varying solubility in different solvents:

  • Organic solvents: Generally, compounds like 3-allyl-5-chloro-1,3-benzoxazol-2-one are more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO), due to their non-polar characteristics.
  • Water: Its solubility in water tends to be limited, primarily because of the hydrophobic nature of the benzoxazole moiety.
  • Salt formation: In some cases, forming salt derivatives may enhance aqueous solubility, but this requires specific conditions and reagents.

In summary, the solubility behavior of 3-allyl-5-chloro-1,3-benzoxazol-2-one is heavily dependent on the solvent system used. Scientists often encourage the exploration of suitable solvents to optimize solubility for specific applications. Understanding the unique solubility profile of this compound could be key for its effective utilization in various chemical and pharmaceutical formulations.

Interesting facts

Interesting Facts about 3-allyl-5-chloro-1,3-benzoxazol-2-one

3-allyl-5-chloro-1,3-benzoxazol-2-one is a fascinating compound that belongs to the benzoxazole family, which is known for its wide range of applications in various fields of chemistry. Here are some noteworthy aspects of this intriguing substance:

  • Unique Structure: The compound features a benzoxazole core, which is fused with a chlorine atom and an allyl group. This unique combination is significant in medicinal chemistry as it can influence the compound's biological activities.
  • Potential Biological Applications: Benzoxazole derivatives have been extensively studied for their potential as pharmaceuticals. They show promise as anti-inflammatory, antimicrobial, and anticancer agents, making compounds like 3-allyl-5-chloro-1,3-benzoxazol-2-one of great interest to researchers.
  • Synthesis Routes: The synthesis of this compound often involves advanced organic reactions, which can include cyclization processes. Understanding these synthesis methods is crucial for developing analogs and understanding structure-activity relationships.
  • Influence of Substituents: The presence of chlorine and the allyl group can dramatically change the compound's reactivity and biological properties. This underscores the importance of *substituents* in organic chemistry, where small changes can lead to significant differences in functionality.
  • Research Opportunities: This compound provides an exciting avenue for ongoing research. Scientists are continuously exploring the effects of structural modifications on its efficacy, which might lead to novel therapeutic agents.

In summary, 3-allyl-5-chloro-1,3-benzoxazol-2-one exemplifies how intricate organic compounds can hold the key to potential advancements in medicine and chemical research. Its unique structure and the versatility of its derivatives make it a significant compound for exploration.

Synonyms
24963-36-8
2-BENZOXAZOLINONE, 3-ALLYL-5-CHLORO-
3-Allyl-5-chloro-2-benzoxazolinone
LXJ4CNU097
NSC 24957
BRN 0644874
NSC-24957
UNII-LXJ4CNU097
DTXSID90179673
5-CHLORO-3-(2-PROPEN-1-YL)-2(3H)-BENZOXAZOLONE
(3H)-BENZOXAZOLONE, 5-CHLORO-3-(2-PROPEN-1-YL)-
RefChem:198224
DTXCID50102164
3-Allyl-5-chlorobenzoxazol-2(3H)-one
NSC24957
3-allyl-5-chlorobenzo[d]oxazol-2(3H)-one
CHEMBL2235935
STK738765
AKOS002259191
ST50752315
5-chloro-3-prop-2-enyl-3-hydrobenzoxazol-2-one
5-chloro-3-(prop-2-en-1-yl)-1,3-benzoxazol-2(3H)-one