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Pyridazinone derivative

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Identification
Molecular formula
C13H11ClF3N3O
CAS number
505068-13-3
IUPAC name
4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
State
State

The compound is typically in solid state at room temperature.

Melting point (Celsius)
168.00
Melting point (Kelvin)
441.15
Boiling point (Celsius)
495.00
Boiling point (Kelvin)
768.15
General information
Molecular weight
287.68g/mol
Molar mass
287.6750g/mol
Density
1.4695g/cm3
Appearence

This compound typically appears as a crystalline solid, with a light yellow to off-white color. The exact appearance can vary slightly depending on the specific method of synthesis and purification.

Comment on solubility

Solubility of 4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one is a complex organic compound known for its unique structural features which can influence its solubility characteristics. Understanding its solubility is essential for various applications in chemical formulations.

Key Aspects of Solubility:

  • Polarity: The presence of the trifluoromethyl group and the dimethylamino group can impart specific polar characteristics, which may influence solubility in polar solvents.
  • Solvent Interaction: It is likely to exhibit better solubility in polar organic solvents such as methanol and dimethyl sulfoxide (DMSO) compared to non-polar solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds due to the amino group may enhance solubility in certain aqueous solutions.

To summarize, the solubility of this compound will primarily depend on solvent polarity, temperature, and potential intermolecular interactions. Exploring these factors will provide deeper insights into how this compound can be effectively utilized in various applications.

Interesting facts

Interesting Facts about 4-Chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

This intriguing compound embodies a complex molecular structure, making it a topic of considerable interest in the fields of medicinal chemistry and pharmaceutical research. Here are some key points that highlight its significance:

  • Pharmacological Potential: The unique combination of a pyridazinone core with chlorinated and trifluoromethyl groups opens up various pathways for biological activity. Such compounds often exhibit potential antitumor, antibacterial, or anti-inflammatory properties.
  • Versatile Structure: The presence of the −Cl atom and the −CF3 group creates an opportunity for molecular interaction with biological targets. These modifications can enhance lipophilicity and bioavailability, making the compound more effective in therapeutic applications.
  • Role in Drug Design: In drug discovery, the integration of diverse functional groups within a single molecule can lead to improved efficacy and reduced side effects. Researchers often investigate such derivatives to optimize leading compounds in clinical studies.
  • Fluorine's Influence: The trifluoromethyl group is particularly noteworthy due to its influence on the electronic properties of the compound. This group can impact how the compound interacts at the molecular level, making it a favorite in the design of agrochemicals and pharmaceuticals.

As a testament to its complexity and potential, this compound serves as an example of how synthetic organic chemistry can create molecules that may significantly benefit human health. Ongoing research into its properties and applications continues to shed light on its promising future in various scientific fields.

Synonyms
Metflurazon
23576-23-0
Sandoz 6706
San-6706
NT6HY78WBN
SANDOZ-6706
DTXSID8042133
SAN-H-6706
3(2H)-Pyridazinone, 4-chloro-5-(dimethylamino)-2-(3-(trifluoromethyl)phenyl)-
S-6706
4-Chloro-5-dimethylamino-2-(alpha,alpha,alpha-trifluoro-m-tolyl)pyridazin-3(2H)-one
4-Chloro-5-(dimethylamino)-2-alpha,alpha,alpha-(trifluoro-m-tolyl)-3-(2H)-pyridazinone
RefChem:156830
DTXCID6022133
Metflurazon [ISO]
4-Chloro-5-Dimethylamino-2-[3-(Trifluoromethyl)Phenyl]Pyridazin-3-One
4-chloro-5-(dimethylamino)-2-(3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
UNII-NT6HY78WBN
San 6706-3197
METFLUKAZONE
METFLURAZONE
METHYLNORFLURAZON
SCHEMBL135108
orb1696142
SCHEMBL29609441
CYQMVKQKBFFDOO-UHFFFAOYSA-N
4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
AKOS040753011
AN-699/12933005
Q27285043
1-M-TRIFLUOROMETHYLPHENYL-4-DIMETHYLAMINO-5-CHLOROPYRIDAZ-6-ONE
4-CHLORO-5-(DIMETHYLAMINO)-2-((3-TRIFLUOROMETHYL)PHENYL)-3(2H)-PYRIDAZINONE
4-chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone
3(2H)-PYRIDAZINONE, 4-CHLORO-5-(DIMETHYLAMINO)-2-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-
4-CHLORO-5-(DIMETHYLAMINO)-2,3-DIHYDRO-2-(3-(TRIFLUOROMETHYL)PHENYL)-3-PYRIDAZINONE
4-CHLORO-5-(DIMETHYLAMINO)-2-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-3(2H)-PYRIDAZINONE
4-chloro-5-(dimethylamino)-2-(3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one; 3(2H)-Pyridazinone, 4-chloro-5-(dimethylamino)-2-(a,a,a-trifluoro-m-tolyl)- (8CI); 4-Chloro-5-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone (ACI); 1-m-Trifluoromethylphenyl-4-dimethylamino-5-chloropyridaz-6-one; 4-Chloro-5-(dimethylamin
4-CHLORO-5-DIMETHYLAMINO-2-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)PYRIDAZIN-3(2H)-ONE