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3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid

  • CAS No. 1171044-16-8

  • Cat. No. CS-0189850
  • Molecule weight234.10
  • Purity≥95%
  • MDL No.None

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

3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid|CS-0189850

Structure of 1171044-16-8

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General Information

  • CAS No. 1171044-16-8
  • Cat. No. CS-0189850
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉BN₂O₂
  • Molecular Weight 234.10
  • Synonym(s) (3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid
  • SMILES CN1CCN(CC1)CC2=CC(=CC=C2)B(O)O

Description

This boronate moiety integrates a 4-methylpiperazinylmethyl linker, enhancing solubility and functional group compatibility. The para-substituted phenylboronic acid unit enables efficient Suzuki-Miyaura coupling under standard conditions, delivering robust C–C bond formation in synthetic workflows.

Application

3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid serves as a versatile boron-containing building block for Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl architectures. The pendant piperazine moiety offers enhanced solubility and functional group tolerance, while the boronic acid functionality ensures reliable coupling under mild conditions. Bench-stable and amenable to straightforward purification, it facilitates the synthesis of complex scaffolds relevant to medicinal chemistry and materials science.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   46.94
  • LogP   -0.8862
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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