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CAS 1082503-79-4

:

1-Ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Description:
1-Ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of ethyl and dimethyl substituents enhances its hydrophobic properties, potentially influencing its solubility and reactivity. The incorporation of a boron-containing group, specifically a tetramethyl-1,3,2-dioxaborolane, suggests that this compound may exhibit unique reactivity patterns, particularly in organoboron chemistry, which is often utilized in cross-coupling reactions and as intermediates in organic synthesis. The compound's structure indicates potential applications in agrochemicals or pharmaceuticals, where pyrazole derivatives are known for their biological activity. Additionally, the presence of multiple functional groups may contribute to its overall stability and reactivity, making it a subject of interest in synthetic organic chemistry. Overall, this compound exemplifies the complexity and versatility of modern organic molecules, particularly those incorporating boron.
Formula:C13H23BN2O2
InChI:InChI=1S/C13H23BN2O2/c1-8-16-10(3)11(9(2)15-16)14-17-12(4,5)13(6,7)18-14/h8H2,1-7H3
InChI key:InChIKey=WCVMGDHLFGKAEC-UHFFFAOYSA-N
SMILES:CC1=C(B2OC(C)(C)C(C)(C)O2)C(C)=NN1CC
Synonyms:
  • 1H-Pyrazole, 1-ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 1-Ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-Ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
  • 1-Ethyl-3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
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