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3-Methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one

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Identification
Molecular formula
C12H9N3O2
CAS number
16258-49-2
IUPAC name
3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one
State
State

At room temperature, it is a solid material.

Melting point (Celsius)
105.00
Melting point (Kelvin)
378.15
Boiling point (Celsius)
280.00
Boiling point (Kelvin)
553.15
General information
Molecular weight
213.22g/mol
Molar mass
213.2170g/mol
Density
1.2500g/cm3
Appearence

This compound is typically a white to off-white crystalline solid. It has a distinct chemical odor and is often used in research and laboratory settings.

Comment on solubility

Solubility of 3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one

The solubility of 3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one can be quite unique and complex due to its molecular structure. Generally, the solubility of such organic compounds can be influenced by several key factors:

  • Polarity: The presence of polar or nonpolar functional groups can significantly impact solubility in various solvents. Compounds with more polar sites tend to be soluble in polar solvents, like water.
  • Crystallinity: Highly crystalline compounds often exhibit lower solubility due to their stable lattice structures, which require more energy to break apart.
  • Temperature: Increased temperature can enhance the solubility of many organic compounds, making them more amenable to dissolve in solvents.
  • pH Levels: The acidity or alkalinity of a solution can also affect solubility, especially for compounds that can ionize.

In the case of 3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one, there is a risk that it may exhibit limited solubility in water due to its larger, hydrophobic aromatic groups. However, in organic solvents such as ethanol or methanol, it may dissolve more readily. As Andrew S. Cohen aptly stated, "The solubility of a compound is a key understanding in predicting its behavior in biological systems." Therefore, assessing the solubility profile of this compound is crucial for applications in pharmaceuticals and other fields.

Ultimately, experimental techniques such as solubility tests and chromatographic analyses are essential for a precise determination of the solubility of 3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one.

Interesting facts

Interesting Facts about 3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one

3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one is a fascinating compound that piques the interest of chemists due to its unique structure and potential applications. Here are some captivating aspects of this compound:

  • Structural Complexity: The compound features a heterocyclic structure, which is a defining characteristic of many biologically active molecules. Its isoxazole and pyridazine rings contribute to its intriguing chemical behavior.
  • Pharmacological Potential: Research suggests that derivatives of this compound could exhibit significant antioxidant and anti-inflammatory properties, making them prospective candidates for further development in medicinal chemistry.
  • Diverse Applications: Compounds with similar structures have been investigated for their applicability as drug leads in therapeutic areas such as neurodegenerative diseases and cancer treatment.
  • Synthesis Challenges: The synthesis of 3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one often involves sophisticated multi-step reactions, making it a great subject of study in synthetic organic chemistry.
  • Analytical Techniques: To fully characterize this compound, chemists may employ various techniques such as Nuclear Magnetic Resonance (NMR), Mass Spectrometry (MS), and Infrared Spectroscopy (IR), showcasing the essential role of analytical chemistry in understanding complex molecules.

In summary, 3-methyl-4-phenyl-6H-isoxazolo[3,4-d]pyridazin-7-one serves as a prime example of the intersection of structure and function in organic compounds, highlighting the ongoing advancements in the field of pharmaceutical chemistry.

Synonyms
3-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
3-methyl-4-phenyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one
3-Methyl-4-phenylisoxazolo(3,4-d)pyridazin-7(6H)-one
3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
605-676-6
17334-68-8
3-methyl-4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-methyl-4-phenyl-
MFCD00828947
ISOXAZOLE(3,4-d)PYRIDAZIN-7(6H)-ONE, 3-METHYL-4-PHENYL-
BRN 0990530
YUQZAUWIHXYWKC-UHFFFAOYSA-N
3-Methyl-4-phenylisoxazole(3,4-d)pyridazin-7(6H)-one
SCHEMBL994138
DTXSID90169599
HMS1661B03
SAA33468
NSC765774
AKOS005103432
8M-309S
CCG-235640
NSC-765774
DB-112657
NS00025687
EN300-64522
3-methyl-4-phenyl-6h-isoxazolo[3,4-d]pyridazin-7-one
F2199-0090
Z234896695