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5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one

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Identification
Molecular formula
C12H13ClN2O2
CAS number
945680-93-7
IUPAC name
5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one
State
State

At room temperature, this compound is a solid.

Melting point (Celsius)
182.00
Melting point (Kelvin)
455.20
Boiling point (Celsius)
421.50
Boiling point (Kelvin)
694.70
General information
Molecular weight
266.72g/mol
Molar mass
266.7160g/mol
Density
1.4300g/cm3
Appearence

The compound 5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one typically appears as a solid crystalline powder. The color of the powder can vary from off-white to beige.

Comment on solubility

Solubility of 5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one

The solubility of 5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one can vary significantly depending on various factors such as temperature, pH, and the presence of solvents. Generally, compounds that integrate nitrogen-containing groups, like the pyrrolidine moiety in this compound, can exhibit enhanced solubility in polar solvents due to hydrogen bonding capabilities. Here are some key considerations regarding its solubility:

  • Temperature: Higher temperatures typically increase solubility by providing more energy for solute-solvent interactions.
  • Solvent Type: This compound may be more soluble in polar solvents (e.g., water, methanol) compared to non-polar solvents due to its polar functional groups.
  • pH Levels: The ionization of nitrogen atoms can be influenced by pH, potentially enhancing solubility in acidic or basic conditions.

As a general rule, it is insightful to conduct specific solubility tests to ascertain exact solubility profiles under varying conditions. Testing in different solvents and at various temperatures can provide relevant data for practical applications involving this compound.

Interesting facts

Interesting Facts about 5-Chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one

5-Chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one is a fascinating compound that has attracted attention in various scientific fields, particularly in medicinal chemistry due to its multiple potential applications. Here are some key points that highlight the significance of this compound:

  • Unique Structure: The compound features a benzoxazole moiety, which is known for its ability to form hydrogen bonds and participate in π-π stacking interactions. This makes it an important scaffold in drug design.
  • Biological Activities: Research has indicated that benzoxazole derivatives may exhibit a range of biological activities, including antimicrobial, anti-cancer, and anti-inflammatory properties, making this compound of high interest for pharmaceutical research.
  • Chloro Substituent: The presence of chlorine in the structure can significantly enhance the compound's lipophilicity and bioavailability, which are critical factors in the effectiveness of drug candidates.
  • Pyrrolidine Ring: The incorporation of the pyrrolidinyl group adds to its pharmacological profile by potentially allowing for better interaction with biological targets and improving pharmacokinetic properties.
  • Synthetic Versatility: The synthesis of this compound is of interest because it showcases novel routes to create functionalized heterocycles, beneficial for chemists aiming to explore new synthetic methodologies.

Overall, 5-chloro-3-(pyrrolidin-1-ylmethyl)-1,3-benzoxazol-2-one represents a blend of intriguing structural features and promising biological potential, paving the way for further exploration and development in therapeutic applications.

Synonyms
BRN 1126251
2(3H)-BENZOXAZOLONE, 5-CHLORO-3-(1-PYRROLIDINYLMETHYL)-
17929-31-6
Pirolidynometylo-5-chloro-benzoksazolon-2 [Polish]
Pirolidynometylo-5-chloro-benzoksazolon-2
5-Chloro-3-(1-pyrrolidinylmethyl)-2(3H)-benzoxazolone
DTXSID70170789
DTXCID3093280
AKOS003938749
Z57454288