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Benzothiazole-5-boronic acid pinacol ester

  • CAS No. 1073354-91-2

  • Cat. No. CS-0030585
  • Molecule weight261.15
  • Purity≥97%
  • MDL No.MFCD09260439

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

Benzothiazole-5-boronic acid pinacol ester|CS-0030585

Structure of 1073354-91-2

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General Information

  • CAS No. 1073354-91-2
  • Cat. No. CS-0030585
  • Purity ≥97%
  • MDL No. MFCD09260439
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆BNO₂S
  • Molecular Weight 261.15
  • Synonym(s) None
  • SMILES CC1(C)C(C)(C)OB(C2=CC=C(SC=N3)C3=C2)O1

Description

Benzothiazole-5-boronic acid pinacol ester delivers a stable, bench-ready boronate handle for Suzuki-Miyaura cross-coupling reactions. This moisture-tolerant reagent integrates efficiently into complex heterocyclic scaffolds, enabling rapid access to functionalized benzothiazoles under mild conditions.

Application

Benzothiazole-5-boronic acid pinacol ester serves as a stable, bench-ready building block for Suzuki-Miyaura cross-coupling reactions. Its robust boronate ester functionality enables efficient C–C bond formation under mild conditions, offering excellent functional group tolerance and straightforward purification. Widely employed in the synthesis of biologically relevant heterocycles and pharmaceutical scaffolds, it functions as a versatile precursor in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • WO2010/68257 A1, ; Page/Page column 92-93 ; WO 2010/068257 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 : H319
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   31.35
  • LogP   2.5955
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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