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CAS 847818-73-9

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

Description:
1-(3,3-Diethoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, with CAS number 847818-73-9, is a chemical compound characterized by its unique structural features, including a pyrazole ring and a boron-containing dioxaborolane moiety. The presence of the diethoxypropyl group enhances its solubility and reactivity, making it suitable for various applications in organic synthesis and medicinal chemistry. The compound's boron atom, part of the dioxaborolane structure, is known for its ability to form stable complexes with nucleophiles, which can be advantageous in reactions such as cross-coupling. Additionally, the tetramethyl substitution on the dioxaborolane contributes to the compound's stability and steric hindrance, potentially influencing its reactivity and interaction with biological targets. Overall, this compound exemplifies the integration of functional groups that can be leveraged for specific chemical transformations and applications in drug development or materials science.
Formula:C16H29BN2O4
InChI:InChI=1S/C16H29BN2O4/c1-7-20-14(21-8-2)9-10-19-12-13(11-18-19)17-22-15(3,4)16(5,6)23-17/h11-12,14H,7-10H2,1-6H3
InChI key:InChIKey=ZYQZMJPUJNOXLE-UHFFFAOYSA-N
SMILES:C(CC(OCC)OCC)N1C=C(C=N1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • 1H-Pyrazole, 1-(3,3-diethoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 1-(3,3-Diethoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
  • 1-(3,3-Diethoxypropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
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