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CS-W001157 4
Total: USD 88.00

4-(Methylthio)phenylboronic acid

  • CAS No. 98546-51-1

  • Cat. No. CS-D1041
  • Purity≥97%
  • MDL No.MFCD00093410

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

4-(Methylthio)phenylboronic acid|CS-D1041

Structure of 98546-51-1

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General Information

  • CAS No. 98546-51-1
  • Cat. No. CS-D1041
  • Purity ≥97%
  • MDL No. MFCD00093410
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉BO₂S
  • Molecular Weight 168.02
  • Synonym(s) Boronic acid, B-[4-(methylthio)phenyl]-
  • SMILES CSC1=CC=C(B(O)O)C=C1

Application

4-(Methylthio)phenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds with excellent functional group tolerance. The methylthio group exhibits robust stability under standard reaction conditions and facilitates selective transformations, while the boronic acid moiety enables reliable coupling with aryl halides and triflates. Its bench-stable solid form simplifies handling and purification, making it well-suited for iterative synthesis in medicinal chemistry and materials development.

Synthesis

  • Route1

    References

    • Percec; Bera; De Binod; Sanai; Smith; Holerca; Barboiu; Grubbs; Frechet Journal of Organic Chemistry, 2001 , vol. 66, # 6 p. 2104 - 2117
  • Route2
    • null|null
      60822-47-1
    • null|null
      121-43-7
    • ~83%
    • In-stock
      4-(Methylthio)phenylboronic acid|CS-D1041
      98546-51-1

    References

    • G.D. Searle and Co. Patent: US5344991 A1, 1994 ;
  • Route3
    • null|null
      60822-47-1
    • ~%
    • In-stock
      4-(Methylthio)phenylboronic acid|CS-D1041
      98546-51-1

    References

    • US5593994 A1, ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   0.0883
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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