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CS-W001157 4
Total: USD 88.00

1-Acetoxy-1,2-benziodoxol-3-(1H)-one

  • CAS No. 1829-26-1

  • Cat. No. CS-W001481
  • Purity≥95%
  • MDL No.MFCD18909744

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

1-Acetoxy-1,2-benziodoxol-3-(1H)-one|CS-W001481

Structure of 1829-26-1

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General Information

  • CAS No. 1829-26-1
  • Cat. No. CS-W001481
  • Purity ≥95%
  • MDL No. MFCD18909744
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇IO₄
  • Molecular Weight 306.06
  • Synonym(s) 1,2-Benziodoxol-3(1H)-one, 1-(acetyloxy)-
  • SMILES CC(OI1C2=CC=CC=C2C(O1)=O)=O

Description

1-Acetoxy-1,2-benziodoxol-3-(1H)-one is a bench-stable hypervalent iodine reagent featuring a reactive acetoxy group poised for electrophilic functionalization. This structure enables efficient C–H and C–C bond formation under mild conditions, offering high chemoselectivity in complex molecule synthesis.

Application

1-Acetoxy-1,2-benziodoxol-3-(1H)-one serves as a stable, bench-ready hypervalent iodine reagent that facilitates efficient oxidative transformations. It enables reliable C–H functionalization, arylation, and heterocycle synthesis under mild conditions, with excellent functional group tolerance and straightforward purification. Its acetoxy group provides controlled reactivity, making it a practical choice for routine applications in synthetic organic chemistry and API intermediate development.

Synthesis

  • Route1

    References

    • Leslie, D. Ralph Australian Journal of Chemistry, 1989 , vol. 42, # 12 p. 2119 - 2126
  • Route2
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      1-Hydroxy-1,2-benziodoxol-3(1H)-one|CS-0086284
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      1-Acetoxy-1,2-benziodoxol-3-(1H)-one|CS-W001481
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    References

    • Mocci, Francesca; Uccheddu, Gianluca; Frangia, Angelo; Cerioni, Giovanni Journal of Organic Chemistry, 2007 , vol. 72, # 11 p. 4163 - 4168
  • Route3
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      1-Acetoxy-1,2-benziodoxol-3-(1H)-one|CS-W001481
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    References

    • Iinuma, Masataka; Moriyama, Katsuhiko; Togo, Hideo Synlett, 2012 , vol. 23, # 18 p. 2663 - 2666,4

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.9261
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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