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CS-W001157 4
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(2-(Methylthio)pyrimidin-5-yl)boronic acid

  • CAS No. 348098-29-3

  • Cat. No. CS-0053014
  • Molecule weight170.00
  • Purity≥98%
  • MDL No.None

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

(2-(Methylthio)pyrimidin-5-yl)boronic acid|CS-0053014

Structure of 348098-29-3

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General Information

  • CAS No. 348098-29-3
  • Cat. No. CS-0053014
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BN₂O₂S
  • Molecular Weight 170.00
  • Synonym(s) 2-(Methylthio)pyrimidine-5-boronic acid
  • SMILES CSC1=NC=C(C=N1)B(O)O

Description

This boronate moiety features a methylthio-substituted pyrimidine scaffold, enabling efficient cross-coupling under standard conditions. The electron-deficient heterocycle enhances reactivity in palladium-catalyzed transformations, while the bench-stable boronic acid functionality simplifies handling and integration into complex molecular architectures.

Application

(2-(Methylthio)pyrimidin-5-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biologically relevant pyrimidine-based architectures. The methylthio group provides orthogonal functionalization potential and enhances stability during storage and handling. Its boronic acid moiety facilitates reliable coupling with aryl and heteroaryl halides under mild conditions, making it ideal for the synthesis of pharmaceutical intermediates and functionalized heterocycles in industrial R&D workflows.

Safety Information

Download SDS
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   66.24
  • LogP   -1.1217
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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