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CS-W001157 4
Total: USD 88.00

5-Difluoromethoxy-2-mercaptobenzimidazole

  • CAS No. 97963-62-7

  • Cat. No. CS-W021039
  • Purity≥98%
  • MDL No.MFCD00467504

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

5-Difluoromethoxy-2-mercaptobenzimidazole|CS-W021039

Structure of 97963-62-7

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General Information

  • CAS No. 97963-62-7
  • Cat. No. CS-W021039
  • Purity ≥98%
  • MDL No. MFCD00467504
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂N₂OS
  • Molecular Weight None
  • Synonym(s) None
  • SMILES S=C1NC2=CC(OC(F)F)=CC=C2N1

Description

5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole may be used in the synthesis of pantoprazole, a drug for treating gastroesophageal reflux disease and gastrointestinal disorders.

Application

5-Difluoromethoxy-2-mercaptobenzimidazole serves as a versatile building block in medicinal chemistry, enabling the synthesis of heterocyclic scaffolds through palladium-catalyzed cross-coupling and electrophilic substitution reactions. The difluoromethoxy group enhances metabolic stability and modulates lipophilicity, while the thiol functionality facilitates conjugation and coordination chemistry. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step syntheses requiring functional group tolerance and structural diversity.

Synthesis

  • Route1

    References

    • Asian Journal of Chemistry, , vol. 25, # 14 p. 7959 - 7966
  • Route2

    References

    • Asian Journal of Chemistry, , vol. 25, # 14 p. 7959 - 7966
  • Route3

    References

    • Asian Journal of Chemistry, , vol. 25, # 14 p. 7959 - 7966

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H413
Precautionary Statements : P273-P501

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Computational Chemistry Data

  • TPSA   40.81
  • LogP   2.82689
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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