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CAS 937604-60-9

:

4-Bromo-1,2-dihydro-1-methyl-2-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-3H-pyrazol-3-one

Description:
4-Bromo-1,2-dihydro-1-methyl-2-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-3H-pyrazol-3-one is a complex organic compound characterized by its pyrazolone core, which features a bromine substituent and a trifluoromethyl group. This compound exhibits a range of chemical properties typical of pyrazolones, including potential reactivity due to the presence of the carbonyl group and the electron-withdrawing trifluoromethyl group, which can influence its reactivity and stability. The presence of the phenyl and bromine groups can also affect its solubility and interaction with other molecules. It may exhibit biological activity, making it of interest in pharmaceutical research. The compound's structure suggests it could participate in various chemical reactions, including nucleophilic substitutions and electrophilic additions. Additionally, its unique substituents may impart specific physical properties, such as melting point and boiling point, which are important for its application in synthesis or as a potential drug candidate. Overall, this compound represents a significant example of functionalized pyrazolones in organic chemistry.
Formula:C18H14BrF3N2O2
InChI:InChI=1S/C18H14BrF3N2O2/c1-23-15(11-26-14-9-5-6-12(10-14)18(20,21)22)16(19)17(25)24(23)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChI key:InChIKey=NLGUSAIPEHCZFQ-UHFFFAOYSA-N
SMILES:CN1N(C(=O)C(Br)=C1COC2=CC(C(F)(F)F)=CC=C2)C3=CC=CC=C3
Synonyms:
  • 3H-Pyrazol-3-one, 4-bromo-1,2-dihydro-1-methyl-2-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-
  • 4-Bromo-1,2-dihydro-1-methyl-2-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-3H-pyrazol-3-one
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