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CAS 1245643-17-7

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4-Chloro-1-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidine

Description:
4-Chloro-1-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidine is a heterocyclic compound characterized by its pyrazolo-pyrimidine structure, which incorporates both pyrazole and pyrimidine rings. This compound features a chloro substituent at the 4-position and a trifluoroethyl group at the 3-position, contributing to its unique chemical properties. The presence of the trifluoroethyl group enhances lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The compound is likely to exhibit moderate to high stability due to the presence of multiple aromatic systems, which can also contribute to its potential as a ligand in various chemical reactions. Additionally, the chlorine atom may impart specific reactivity patterns, making it suitable for further functionalization. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. As with many fluorinated compounds, it may also exhibit distinct solubility and volatility characteristics, which are important for its handling and application in laboratory settings.
Formula:C8H6ClF3N4
InChI:InChI=1S/C8H6ClF3N4/c1-16-7-5(6(9)13-3-14-7)4(15-16)2-8(10,11)12/h3H,2H2,1H3
InChI key:InChIKey=AWSYXPXKFWOMAT-UHFFFAOYSA-N
SMILES:C(C(F)(F)F)C=1C=2C(N(C)N1)=NC=NC2Cl
Synonyms:
  • 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-3-(2,2,2-trifluoroethyl)-
  • 4-Chloro-1-methyl-3-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidine
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