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Isoxaben

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Identification
Molecular formula
C18H20ClNO4S
CAS number
82558-50-7
IUPAC name
isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
State
State

At room temperature, Isoxaben is a solid substance.

Melting point (Celsius)
174.00
Melting point (Kelvin)
447.15
Boiling point (Celsius)
430.00
Boiling point (Kelvin)
703.15
General information
Molecular weight
361.79g/mol
Molar mass
361.7850g/mol
Density
1.3330g/cm3
Appearence

Isoxaben is a solid compound that appears as a white crystalline powder.

Comment on solubility

Solubility of Isopropyl 2-Chloro-5-[(6-Methyl-2,3-Dihydro-1,4-Oxathiine-5-Carbonyl)Amino]Benzoate

The compound isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate, with the chemical formula C18H20ClNO4S, exhibits distinct solubility characteristics that are important to consider. Solubility is influenced by various factors, including:

  • Polarity: The presence of both hydrophobic (the isopropyl and aromatic groups) and hydrophilic (the amide and carbonate functionalities) components in the chemical structure suggests a potential for moderate solubility in polar solvents such as water.
  • Solvent Interactions: Due to its structural complexity, this compound may show variable solubility in organic solvents, such as methanol and ethanol, favoring those that can engage in hydrogen bonding and dipole interactions.
  • pH Dependence: The ionization state of functional groups can vary with pH, further affecting solubility in aqueous environments. The stability of the compound across different pH levels could significantly influence its bioavailability.

Overall, while specific solubility data may vary, it is crucial to consider the interactions between the compound's functional groups with various solvents. As noted, "understanding the solubility characteristics is pivotal in predicting the behavior of compounds in biological and environmental contexts." Thus, experimentation is advised to ascertain the precise solubility profile of this compound in relevant solvents.

Interesting facts

Interesting Facts about Isopropyl 2-Chloro-5-[(6-Methyl-2,3-Dihydro-1,4-Oxathiine-5-Carbonyl)Amino]Benzoate

This fascinating compound, known as isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate, belongs to a unique class of chemical compounds that combines several interesting functional groups. Here are some captivating insights:

  • Multi-Functional Nature: The presence of both a chloro group and an oxathiine moiety allows this compound to partake in a variety of chemical reactions. This makes it a versatile candidate for further modifications and applications in synthetic organic chemistry.
  • Potential Applications: Compounds with similar structures have shown promise in medicinal chemistry, especially in developing pharmaceutical agents. The unique oxathiine structure could potentially contribute to biological activities such as anti-inflammatory or antimicrobial properties.
  • Research Interest: Scientists are increasingly exploring the properties of derivatives of such compounds to evaluate their potential in targeted drug design. The intricate framework of isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate makes it a subject of interest for a range of research initiatives aimed at creating novel compounds.
  • Structure-Activity Relationships: Understanding the relationship between the structural features of this compound and its biological activity can provide valuable insights. This may contribute to the development of more effective drugs with fewer side effects.
  • Insights into Synthesis: The synthesis of such complex structures often involves multiple steps. Chemists must utilize both traditional organic synthesis techniques and modern methodologies, such as coupling reactions or cyclization strategies, to achieve the target compound.

The exploration of isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate unveils a realm of possibilities in chemistry. As researchers continue to decipher its properties, this compound stands as a testament to the fascinating complexity and diversity found within the world of chemical compounds.

Synonyms
UC84
1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate
NSC-615985
135812-04-3
IJ5WR6SKU5
UC-84
NSC615985
NSC 615985
1-METHYL ETHYL 1-CHLORO-5-(((5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL)AMINO)BENZOATE
Benzoic acid, 2-chloro-5-(((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl)amino)-, 1-methylethyl ester
UNII-IJ5WR6SKU5
NCIMech_000416
CHEMBL190729
SCHEMBL9198223
DTXSID70159539
FMQGUMRNTBJHEA-UHFFFAOYSA-N
CCG-35660
DB08682
2-Chloro-5-((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonylamino)benzoic acid 1-methylethyl ester
NCI60_005031
UC4
NS00068501
Q27097871
1-methylethyl-2-chloro-5-[[5,4-oxathiin-3-yl-carbonyl]-amino]benzoate
1-Methylethyl 2-chloro-5[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate
isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
propan-2-yl 2-chloro-5-(2-methyl-5,6-dihydro-1,4-oxathiine-3-amido)benzoate
1-methylethyl 2-chloro-5-{[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl]amino}benzoate
Benzoic acid, 2-chloro-5[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonylamino]isopropyl ester