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CS-W001157 4
Total: USD 88.00

1,3-Benzodioxole-5-sulfonyl chloride

  • CAS No. 115010-10-1

  • Cat. No. CS-0075968
  • Purity≥96%
  • MDL No.None

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

1,3-Benzodioxole-5-sulfonyl chloride|CS-0075968

Structure of 115010-10-1

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General Information

  • CAS No. 115010-10-1
  • Cat. No. CS-0075968
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClO₄S
  • Molecular Weight 220.63
  • Synonym(s) None
  • SMILES O=S(C1=CC(OCO2)=C2C=C1)(Cl)=O

Description

1,3-Benzodioxole-5-sulfonyl chloride is a reactive sulfonyl chloride derivative featuring a benzodioxole core. This scaffold imparts enhanced solubility and stability in polar solvents. The sulfonyl chloride group enables efficient coupling reactions for constructing sulfonamide-linked architectures in medicinal chemistry and materials synthesis.

Application

1,3-Benzodioxole-5-sulfonyl chloride serves as a versatile sulfonylating agent for introducing sulfonamide functionalities into pharmaceutical and agrochemical intermediates. Its reactive sulfonyl chloride group enables efficient coupling with amines under mild conditions, offering high functional group tolerance and excellent bench stability. The benzodioxole moiety provides structural rigidity and metabolic resistance, enhancing utility in bioactive molecule synthesis.

Synthesis

  • Route1
    • null|null
      274-09-9
    • null|null
      79-37-8
    • ~93%
    • In-stock
      1,3-Benzodioxole-5-sulfonyl chloride|CS-0075968
      115010-10-1

    References

    • G. D. Searle and Co. Patent: US6388132 B1, 2002 ; Location in patent: Page column 52 ;
  • Route2
    • null|null
      274-09-9
    • ~%
    • In-stock
      1,3-Benzodioxole-5-sulfonyl chloride|CS-0075968
      115010-10-1

    References

    • US5968942 A1, ; US 5968942 A
  • Route3
    • null|null
      274-09-9
    • null|null
      107-06-2
    • ~73%
    • In-stock
      1,3-Benzodioxole-5-sulfonyl chloride|CS-0075968
      115010-10-1

    References

    • Eli Lilly and Company Patent: US5387681 A1, 1995 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.3428
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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