Lot numbers can be found on the outside label of a product:
1-Chloro-1,2-benziodoxol-3(1H)-one
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CAS No. 59457-26-0
- Cat. No. CS-0514270
- Purity≥95%
- MDL No.MFCD28411322
*For research and further manufacturing use only, not for direct human use.
Structure of 59457-26-0
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General Information
- CAS No. 59457-26-0
- Cat. No. CS-0514270
- Purity ≥95%
- MDL No. MFCD28411322
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₄ClIO₂
- Molecular Weight None
- Synonym(s) 3H-1,2-Benziodoxol-3-one, 1-chloro-
- SMILES O=C1OI(Cl)C2=CC=CC=C12
Description
1-Chloro-1,2-benziodoxol-3(1H)-one is a bench-stable hypervalent iodine reagent featuring a chlorinated iodine center that enables selective oxidation and functionalization. The fused benziodoxole scaffold delivers high reactivity with excellent stability under standard conditions, facilitating efficient C–H and C–C bond formation in complex molecule synthesis.
Application
1-Chloro-1,2-benziodoxol-3(1H)-one serves as a stable, bench-ready hypervalent iodine reagent that enables efficient C–H functionalization and oxidative transformations. It functions as a versatile electrophilic chlorinating agent and facilitates the construction of complex heterocyclic scaffolds through mild, metal-free oxidation protocols. Its high stability, ease of handling, and compatibility with diverse functional groups make it ideal for iterative synthesis in medicinal chemistry and natural product derivatization.
Synthesis
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Route1
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In-stock
88-67-5 - ~99%
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In-stock
59457-26-0
References
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Matousek, Vaclav; Pietrasiak, Ewa; Schwenk, Rino; Togni, Antonio Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6763 - 6768
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Route2
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142260-70-6 - ~74%
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In-stock
59457-26-0
References
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Ochiai, Masahito; Ito, Takao; Masaki, Yukio; Shiro, Motoo Journal of the American Chemical Society, 1992 , vol. 114, # 15 p. 6269 - 6270
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Route3
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In-stock
131-62-4 - ~%
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In-stock
59457-26-0
References
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Ochiai, Masahito; Ito, Takao; Masaki, Yukio; Shiro, Motoo Journal of the American Chemical Society, 1992 , vol. 114, # 15 p. 6269 - 6270
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.6018
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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