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CS-W001157 4
Total: USD 88.00

6-Iodochroman-2-one

  • CAS No. 128651-99-0

  • Cat. No. CS-0041236
  • Purity≥97%
  • MDL No.None

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

6-Iodochroman-2-one|CS-0041236

Structure of 128651-99-0

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General Information

  • CAS No. 128651-99-0
  • Cat. No. CS-0041236
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇IO₂
  • Molecular Weight 274.06
  • Synonym(s) 6-Iodo-2-chromanone
  • SMILES O=C1CCC2=C(O1)C=CC(I)=C2

Description

6-Iodochroman-2-one is a bench-stable, electron-deficient heterocycle featuring a reactive iodine handle at the 6-position. This moiety enables direct coupling in palladium-catalyzed cross-coupling reactions, facilitating rapid access to complex biaryl architectures. The para-iodo substitution enhances reactivity while maintaining compatibility with diverse functional groups.

Application

6-Iodochroman-2-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions for the construction of biaryl scaffolds. The iodine handle facilitates efficient C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the chroman-2-one core provides a rigid, pharmacophoric framework compatible with diverse functional group transformations. Bench-stable and readily purified by recrystallization, it supports scalable synthesis of complex heterocyclic intermediates.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1428
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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