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Taurine tert-butyl isoxazole derivative

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Identification
Molecular formula
C12H18NO4
CAS number
.
IUPAC name
2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate
State
State

At room temperature, the compound is in a solid state. It is stable under standard conditions, and does not decompose or react readily with other substances in the air.

Melting point (Celsius)
158.00
Melting point (Kelvin)
431.15
Boiling point (Celsius)
274.00
Boiling point (Kelvin)
547.15
General information
Molecular weight
313.39g/mol
Molar mass
313.3880g/mol
Density
1.4750g/cm3
Appearence

The compound is typically a white to off-white crystalline powder. The appearance is uniform and it does not have any distinct odor. It may also form as crystalline solids depending on the method of synthesis and purity.

Comment on solubility

Solubility of 2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate

The solubility of the compound 2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate (C12H18NO4) can be influenced by several factors including its molecular structure and functional groups. Here are a few key aspects to consider:

  • Polarity: The presence of polar functional groups such as amino (-NH3+) and carboxylate (-COO-) moieties typically enhances solubility in polar solvents like water.
  • Hydrophobic Groups: The tert-butyl group provides a hydrophobic character that may reduce water solubility, promoting solubility in organic solvents.
  • pH Effects: As an azanium compound, its solubility may vary with pH; at different pH levels, the ionization states can significantly affect how it interacts with solvents.

In summary, the solubility behavior of 2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate is expected to be complex and highly dependent on the surrounding conditions and solvent choice. Understanding these factors can lead to better utilization of the compound in various chemical applications.

Interesting facts

Interesting Facts about 2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate

The compound 2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate is a fascinating member of the chemical world, particularly due to its unique structural characteristics and potential applications. Here are some intriguing aspects:

  • Unique Structure: This compound contains a combination of an isoxazole ring and a propanoate moiety, making it a hybrid molecule that might display interesting biological activity.
  • Potential Therapeutic Uses: Compounds with isoxazole units are known to possess various pharmacological properties, including anti-inflammatory and antitumor activities. This raises the question: Could this specific compound hold promise for future drug development?
  • Role in Mimicking Natural Products: The incorporation of isoxazole and propanoate groups allows for the possibility of mimicking natural biological molecules, which can enhance target selectivity in drug design.
  • Synthetic Pathways: The synthesis of such compounds typically involves intricate organic reactions, which can include cycloaddition and esterification processes. This invites an exploration of creative synthetic methodologies to streamline the production of similar compounds.
  • Research Potential: The unique arrangement of functional groups in this compound could be of interest for computational chemistry studies, which might predict its reactivity and interaction with biological targets. This leads to exciting prospects in the area of medicinal chemistry.

As the scientific community continues to explore the vast potentials of various compounds, 2-azaniumyl-3-(5-tert-butyl-3-oxo-isoxazol-4-yl)propanoate stands as a representation of the complexity and innovation found within organic chemistry. As researchers delve deeper into its properties, we may uncover even more about its utility in medicine and beyond!

Synonyms
ATPA
2-azaniumyl-3-(5-tert-butyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoate
GTPL4140
HMS3260K20
2-azaniumyl-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoate
Tox21_500139
CCG-204234
LP00139
NCGC00015027-02
NCGC00015027-03
NCGC00015027-04
NCGC00015027-05
NCGC00093629-01
NCGC00093629-02
NCGC00260824-01
EU-0100139