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1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidin-2-one

  • CAS No. 1003309-09-8

  • Cat. No. CS-0101899
  • Purity≥97%
  • MDL No.MFCD22415356

*For research and further manufacturing use only, not for direct human use.

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidin-2-one|CS-0101899

Structure of 1003309-09-8

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General Information

  • CAS No. 1003309-09-8
  • Cat. No. CS-0101899
  • Purity ≥97%
  • MDL No. MFCD22415356
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂BNO₃
  • Molecular Weight 287.16
  • Synonym(s) 4-(2-Oxo-1-pyrrolidinyl)phenylboronic Acid Pinacol Ester
  • SMILES O=C1N(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CCC1

Description

This pyrrolidinone derivative features a boronate ester group enabling reliable Suzuki-Miyaura coupling under standard conditions. The tetramethyl-dioxaborolane moiety ensures excellent stability and compatibility with diverse reaction environments, while the electron-deficient pyrrolidinone ring enhances solubility and facilitates downstream functionalization in synthetic workflows.

Application

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidin-2-one serves as a versatile boronate building block for Suzuki-Miyaura cross-coupling reactions. The pyrrolidinone moiety provides structural rigidity and enhanced solubility, while the tetramethylboronate group ensures high stability, ease of handling, and compatibility with diverse reaction conditions. This compound enables efficient construction of biaryl scaffolds in medicinal chemistry and materials science workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   38.77
  • LogP   2.1126
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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