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CAS 1165935-87-4

:

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Description:
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organic compound characterized by its complex structure, which includes a chloro group, a cyano group, and a boron-containing moiety. The presence of the chloro substituent on the benzene ring enhances its reactivity, making it suitable for various synthetic applications, particularly in cross-coupling reactions. The tetramethyl-1,3,2-dioxaborolane group contributes to its stability and solubility in organic solvents, while also serving as a boron source in chemical transformations. This compound is typically used in organic synthesis, especially in the development of pharmaceuticals and agrochemicals, due to its ability to participate in reactions such as Suzuki coupling. Its molecular structure suggests potential applications in materials science as well. Safety data should be consulted for handling, as compounds containing chlorine and boron can pose specific hazards. Overall, this compound exemplifies the versatility of organoboron chemistry in modern synthetic methodologies.
Formula:C13H15BClNO2
InChI:InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7H,1-4H3
InChI key:InChIKey=YVINOEQKCKMTTK-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C#N)=C(Cl)C=C2
Synonyms:
  • 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • Benzonitrile, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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