CAS 1006876-29-4

1,1-Dimethylethyl α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate

Description:

1,1-Dimethylethyl α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate, identified by its CAS number 1006876-29-4, is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a dioxaborolane moiety. This compound typically exhibits properties associated with both organic and boron-containing compounds, such as potential reactivity in organic synthesis and applications in medicinal chemistry. The presence of the dioxaborolane group suggests it may participate in boron-mediated reactions, which are valuable in various synthetic pathways. Additionally, the pyrazole ring can impart biological activity, making this compound of interest in pharmaceutical research. Its sterically hindered structure, due to the presence of multiple methyl groups, may influence its solubility and reactivity. Overall, this compound represents a unique combination of functional groups that could be explored for diverse applications in chemical synthesis and drug development.

Formula: C₁₇H₂₉BN₂O₄

InChI: InChI=1S/C17H29BN2O4/c1-14(2,3)22-13(21)15(4,5)20-11-12(10-19-20)18-23-16(6,7)17(8,9)24-18/h10-11H,1-9H3

InChI key: InChIKey=VAGMFFNYQBCSRV-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CN(C(C(OC(C)(C)C)=O)(C)C)N=C2

Synonyms:

• 1,1-Dimethylethyl α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetate
• 1H-Pyrazole-1-acetic acid, α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
• tert-Butyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanoate