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CAS 942069-55-8

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2-[3-Bromo-5-(phenylthio)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Description:
2-[3-Bromo-5-(phenylthio)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a boron-containing organic compound characterized by its unique structural features, including a dioxaborolane ring and a bromophenyl moiety. The presence of the bromine atom introduces notable reactivity, making it useful in various synthetic applications, particularly in cross-coupling reactions. The phenylthio group enhances the compound's electronic properties and solubility, which can be advantageous in organic synthesis. The tetramethyl substitution on the dioxaborolane ring contributes to its stability and steric hindrance, influencing its reactivity profile. This compound is typically utilized in the development of pharmaceuticals and agrochemicals, as well as in materials science for the synthesis of functionalized polymers. Its CAS number, 942069-55-8, allows for easy identification and retrieval of information in chemical databases. Overall, this compound exemplifies the versatility of boron-containing compounds in organic chemistry, particularly in the context of functional group transformations and complex molecule synthesis.
Formula:C18H20BBrO2S
InChI:InChI=1S/C18H20BBrO2S/c1-17(2)18(3,4)22-19(21-17)13-10-14(20)12-16(11-13)23-15-8-6-5-7-9-15/h5-12H,1-4H3
InChI key:InChIKey=QLGBIRSPZGMGCY-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(SC3=CC=CC=C3)=CC(Br)=C2
Synonyms:
  • 2-[3-Bromo-5-(phenylthio)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 1,3,2-Dioxaborolane, 2-[3-bromo-5-(phenylthio)phenyl]-4,4,5,5-tetramethyl-
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