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CAS 1059700-17-2

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3,6-Diazabicyclo[3.1.1]heptane, 3-methyl-, 2,2,2-trifluoroacetate (1:2)

Description:
3,6-Diazabicyclo[3.1.1]heptane, 3-methyl-, 2,2,2-trifluoroacetate (1:2) is a chemical compound characterized by its bicyclic structure, which includes a diazabicyclo framework. This compound features a trifluoroacetate functional group, contributing to its unique reactivity and properties. The presence of trifluoromethyl groups typically enhances lipophilicity and can influence the compound's solubility in organic solvents. The 3-methyl substitution on the diazabicyclo structure may affect steric hindrance and electronic properties, potentially impacting its reactivity in various chemical reactions. As a derivative of diazabicyclo compounds, it may exhibit interesting catalytic properties or serve as a ligand in coordination chemistry. The compound's specific applications can vary, but it may be relevant in fields such as medicinal chemistry or materials science. Safety data and handling precautions should be consulted, as the trifluoroacetate moiety can pose health risks. Overall, this compound represents a complex structure with potential utility in various chemical applications.
Formula:C6H12N2·2C2HF3O2
InChI:InChI=1S/C6H12N2.C2HF3O2/c1-8-3-5-2-6(4-8)7-5;3-2(4,5)1(6)7/h5-7H,2-4H2,1H3;(H,6,7)
InChI key:InChIKey=FBMMTPHXLBFSNI-UHFFFAOYSA-N
SMILES:CN1CC2CC(N2)C1.C(C(O)=O)(F)(F)F
Synonyms:
  • 3,6-Diazabicyclo[3.1.1]heptane, 3-methyl-, 2,2,2-trifluoroacetate (1:2)
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