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CS-W001157 4
Total: USD 88.00

2-(Methylthio)benzo[d]oxazole

  • CAS No. 13673-62-6

  • Cat. No. CS-W021447
  • Purity≥98%
  • MDL No.MFCD00160027

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

2-(Methylthio)benzo[d]oxazole|CS-W021447

Structure of 13673-62-6

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General Information

  • CAS No. 13673-62-6
  • Cat. No. CS-W021447
  • Purity ≥98%
  • MDL No. MFCD00160027
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NOS
  • Molecular Weight 165.21
  • Synonym(s) 2-(methylthio)-1,3-benzoxazole
  • SMILES CSC1=NC2=CC=CC=C2O1

Description

2-(Methylthio)benzo[d]oxazole features a benzoxazole core with a methylthio substituent at the 2-position, conferring enhanced electron density and stability. This moiety integrates readily into functionalized heterocycles, serving as a key scaffold in fluorescent probes and pharmaceutical intermediates due to its robustness under standard conditions.

Application

2-(Methylthio)benzo[d]oxazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its methylthio group enables selective functionalization via oxidation or metal-catalyzed cross-coupling, while the benzo[d]oxazole core offers enhanced metabolic stability and favorable pharmacokinetic properties. The compound exhibits excellent bench stability and is readily purified by column chromatography, facilitating integration into multi-step syntheses of bioactive molecules and advanced organic materials.

Synthesis

  • Route1
    • In-stock
      Benzo[d]oxazole-2(3H)-thione|CS-W018116
      2382-96-9
    • null|null
      74-88-4
    • ~95%
    • In-stock
      2-(Methylthio)benzo[d]oxazole|CS-W021447
      13673-62-6

    References

    • TIBOTEC PHARMACEUTICALS LTD. Patent: WO2005/30739 A1, 2005 ; Location in patent: Page/Page column 45-46 ;
  • Route2
    • In-stock
      1,2-Benzisoxazole|CS-0155959
      271-95-4
    • null|null
      74-88-4
    • ~90%
    • In-stock
      2-(Methylthio)benzo[d]oxazole|CS-W021447
      13673-62-6

    References

    • NICHOLAS PIRAMAL INDIA LIMITED Patent: WO2008/53446 A2, 2008 ; Location in patent: Page/Page column 26-27 ;
  • Route3
    • In-stock
      Benzoxazole|CS-W004722
      273-53-0
    • 2-(Methylthio)-1-phenylpropan-1-one|CS-0279057
      14236-72-7
    • ~%
    • In-stock
      2-(Methylthio)benzo[d]oxazole|CS-W021447
      13673-62-6
    • null|null
      93-55-0

    References

    • Tetrahedron Letters, , vol. 52, # 18 p. 2344 - 2347

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P280-P305+P351+P338

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.5497
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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