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CS-W001157 4
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1-Chloro-3,3-dimethyl-1,3-dihydro-1λ3-benzo[d][1,2]iodaoxole

  • CAS No. 69352-04-1

  • Cat. No. CS-0326618
  • Purity≥95%
  • MDL No.MFCD21648251

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

1-Chloro-3,3-dimethyl-1,3-dihydro-1λ3-benzo[d][1,2]iodaoxole|CS-0326618

Structure of 69352-04-1

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General Information

  • CAS No. 69352-04-1
  • Cat. No. CS-0326618
  • Purity ≥95%
  • MDL No. MFCD21648251
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀ClIO
  • Molecular Weight None
  • Synonym(s) 1-Chloro-1,3-dihydro-3,3-diMethyl-1,2-benziodoxole
  • SMILES CC1(C)C2=CC=CC=C2I(Cl)O1

Application

1-Chloro-3,3-dimethyl-1,3-dihydro-1λ³-benzo[d][1,2]iodaoxole serves as a stable, bench-ready electrophilic iodinating agent that facilitates regioselective iodo-functionalization of electron-rich arenes and heterocycles. Its iodine(III) core enables efficient C–I bond formation under mild conditions, with the chloro substituent enhancing reactivity while maintaining compatibility with common functional groups. The dimethyl substitution improves solubility and reduces decomposition, supporting reliable performance in synthetic workflows requiring selective iodination.

Synthesis

  • Route1

    References

    • Fernandez Gonzalez, Davinia; Brand, Jonathan P.; Mondiere, Regis; Waser, Jerome Advanced Synthesis and Catalysis, 2013 , vol. 355, # 8 p. 1631 - 1639
  • Route2
    • In-stock
      Methyl 2-iodobenzoate|CS-W007334
      610-97-9
    • null|null
      75-16-1
    • ~38%
    • In-stock
      1-Chloro-3,3-dimethyl-1,3-dihydro-1λ3-benzo[d][1,2]iodaoxole|CS-0326618
      69352-04-1

    References

    • Powers, David C.; Lee, Eunsung; Ariafard, Alireza; Sanford, Melanie S.; Yates, Brian F.; Canty, Allan J.; Ritter, Tobias Journal of the American Chemical Society, 2012 , vol. 134, # 29 p. 12002 - 12009
  • Route3

    References

    • Moss, Robert A.; Wilk, Boguslawa; Krogh-Jespersen, Karsten; Blair, John T.; Westbrook, John D. Journal of the American Chemical Society, 1989 , vol. 111, # 1 p. 250 - 258

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS03,GHS07
Signal Word : Danger
UN#: 1479
Class : 5.1
Packing Group : Ⅱ
Hazard Statements : H272-H302+H312+H332-H315-H319-H335
Precautionary Statements : P210-P220-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.6967
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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