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CAS 1386860-56-5

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[3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-pyrrolidinylmethanone

Description:
The chemical substance known as [3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-pyrrolidinylmethanone, with the CAS number 1386860-56-5, is characterized by its complex molecular structure that includes a pyrrolidinyl group and a dioxaborolane moiety. This compound features a phenyl ring substituted with a methyl group and a boron-containing functional group, which may enhance its reactivity and solubility in organic solvents. The presence of the dioxaborolane unit suggests potential applications in organic synthesis, particularly in cross-coupling reactions, due to the boron's ability to participate in various chemical transformations. Additionally, the pyrrolidinylmethanone structure may impart specific biological activities, making it of interest in medicinal chemistry. Overall, this compound exemplifies the integration of boron chemistry with organic functional groups, potentially leading to novel applications in pharmaceuticals or materials science. Its precise properties, such as melting point, boiling point, and solubility, would require experimental determination or detailed computational analysis for comprehensive characterization.
Formula:C18H26BNO3
InChI:InChI=1S/C18H26BNO3/c1-13-12-14(16(21)20-10-6-7-11-20)8-9-15(13)19-22-17(2,3)18(4,5)23-19/h8-9,12H,6-7,10-11H2,1-5H3
InChI key:InChIKey=BGHSUBKESHIKCN-UHFFFAOYSA-N
SMILES:CC1=C(C=CC(C(=O)N2CCCC2)=C1)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • 1-[3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]pyrrolidine
  • Methanone, [3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-pyrrolidinyl-
  • [3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-pyrrolidinylmethanone
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