CAS 1000801-77-3

α-(Methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol

Description:

α-(Methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol is a chemical compound characterized by its unique structural features, which include a pyrazole ring and a boron-containing moiety. The presence of the methoxymethyl group enhances its solubility and reactivity, making it suitable for various synthetic applications. The dioxaborolane group contributes to its potential as a boron source in organic synthesis, particularly in cross-coupling reactions. This compound is likely to exhibit moderate to high polarity due to the hydroxyl and methoxy functional groups, influencing its interaction with other molecules. Additionally, the tetramethyl substitution on the dioxaborolane ring may provide steric hindrance, affecting its reactivity and stability. Overall, this compound's characteristics suggest it could be valuable in medicinal chemistry and materials science, particularly in the development of boron-containing pharmaceuticals or catalysts. However, specific properties such as melting point, boiling point, and solubility would require empirical measurement or detailed literature references for precise information.

Formula: C₁₃H₂₃BN₂O₄

InChI: InChI=1S/C13H23BN2O4/c1-12(2)13(3,4)20-14(19-12)10-6-15-16(7-10)8-11(17)9-18-5/h6-7,11,17H,8-9H2,1-5H3

InChI key: InChIKey=QNLCLVHEGDGCHO-UHFFFAOYSA-N

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

Synonyms:

• α-(Methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol
• 1H-Pyrazole-1-ethanol, α-(methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 1-Methoxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol
• 1-Methoxy-3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol
• 1-Methoxy-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]propan-2-ol