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CAS 863868-30-8

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

Description:
4-Chloro-3-(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 nitrile functional group, and a boron-containing dioxaborolane moiety. The presence of the chloro substituent on the benzene ring enhances its reactivity, making it suitable for various synthetic applications, particularly in the field of medicinal chemistry and materials science. The dioxaborolane group contributes to its potential as a boron source in cross-coupling reactions, such as Suzuki coupling, which is widely used in the formation of carbon-carbon bonds. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure allows for potential applications in drug development and the synthesis of complex organic molecules. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper laboratory practices.
Formula:C13H15BClNO2
InChI:InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-7H,1-4H3
InChI key:InChIKey=DGMDRBZAUFPUJU-UHFFFAOYSA-N
SMILES:ClC=1C(=CC(C#N)=CC1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Benzonitrile, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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