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CAS 1256360-48-1

:

1-[3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarbonitrile

Description:
1-[3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarbonitrile is a synthetic organic compound characterized by its complex structure, which includes a cyclopropane ring, a nitrile functional group, and a chlorophenyl moiety. The presence of the dioxaborolane group suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions. This compound may exhibit unique reactivity due to the electron-withdrawing nature of the cyano group and the steric hindrance introduced by the tetramethyl substituents. Its chlorophenyl component can influence its solubility and interaction with biological targets, making it of interest in medicinal chemistry. Additionally, the compound's properties, such as melting point, boiling point, and solubility, would be influenced by its molecular structure and functional groups. Overall, this compound represents a valuable structure for research in various fields, including pharmaceuticals and materials science, due to its potential reactivity and functionalization capabilities.
Formula:C16H19BClNO2
InChI:InChI=1S/C16H19BClNO2/c1-14(2)15(3,4)21-17(20-14)12-7-11(8-13(18)9-12)16(10-19)5-6-16/h7-9H,5-6H2,1-4H3
InChI key:InChIKey=HIBAVNIZBCSVPA-UHFFFAOYSA-N
SMILES:C(#N)C1(CC1)C2=CC(=CC(Cl)=C2)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • Cyclopropanecarbonitrile, 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
  • 1-[3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarbonitrile
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