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Sodium benzo[d]isoxazol-3-ylmethanesulfonate

  • CAS No. 73101-64-1

  • Cat. No. CS-0094712
  • Purity≥97%
  • MDL No.MFCD07782146

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

Sodium benzo[d]isoxazol-3-ylmethanesulfonate|CS-0094712

Structure of 73101-64-1

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General Information

  • CAS No. 73101-64-1
  • Cat. No. CS-0094712
  • Purity ≥97%
  • MDL No. MFCD07782146
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆NNaO₄S
  • Molecular Weight 235.19
  • Synonym(s) Sodium (1,2-benzoxazol-3-yl)methanesulfonic acid
  • SMILES O=S(CC1=NOC2=C1C=CC=C2)(O[Na])=O

Description

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.For further information and support please go to the website of the issuing Pharmacopoeia.Dicycloverine impurity A EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.

Application

Sodium benzo[d]isoxazol-3-ylmethanesulfonate serves as a stable, bench-ready sulfonate surrogate for transition-metal-catalyzed cross-coupling reactions. The benzo[d]isoxazol-3-yl moiety provides robust ortho-directed functionalization capability, while the methanesulfonate group enables reliable C–C and C–heteroatom bond formation under standard Suzuki, Stille, and Negishi conditions. Its high solubility in polar organic solvents facilitates straightforward purification and reaction setup, making it a practical building block for heterocyclic scaffolds in medicinal chemistry and materials science applications.

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.4
  • LogP   0.7577
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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