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CAS 785777-90-4

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5-Bromo-4-(trifluoromethyl)-2(1H)-pyrimidinone

Description:
5-Bromo-4-(trifluoromethyl)-2(1H)-pyrimidinone is a heterocyclic organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at the 1 and 3 positions. The presence of a bromine atom at the 5-position and a trifluoromethyl group at the 4-position significantly influences its chemical properties, including its reactivity and polarity. This compound is typically a solid at room temperature and is soluble in polar organic solvents. It exhibits potential biological activity, making it of interest in medicinal chemistry and drug development. The trifluoromethyl group enhances lipophilicity and can improve the compound's metabolic stability. Additionally, the compound may participate in various chemical reactions, such as nucleophilic substitutions or coupling reactions, due to the presence of the electrophilic bromine atom. Its unique structure and functional groups make it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. Safety data should be consulted for handling, as halogenated compounds can pose health risks.
Formula:C5H2BrF3N2O
InChI:InChI=1S/C5H2BrF3N2O/c6-2-1-10-4(12)11-3(2)5(7,8)9/h1H,(H,10,11,12)
InChI key:InChIKey=MWZXTICAJCNCLC-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(Br)C=NC(=O)N1
Synonyms:
  • 5-Bromo-4-(trifluoromethyl)-2(1H)-pyrimidinone
  • 2(1H)-Pyrimidinone, 5-bromo-4-(trifluoromethyl)-
  • 5-Bromo-4-(trifluoromethyl)pyrimidin-2-ol
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