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1,3-Dioxo-2,3-dihydro-1h-isoindol-2-yl cyclohexanecarboxylate

  • CAS No. 126812-30-4

  • Cat. No. CS-0216935
  • Purity≥98%
  • MDL No.None

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

1,3-Dioxo-2,3-dihydro-1h-isoindol-2-yl cyclohexanecarboxylate|CS-0216935

Structure of 126812-30-4

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General Information

  • CAS No. 126812-30-4
  • Cat. No. CS-0216935
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₅NO₄
  • Molecular Weight 273.28
  • Synonym(s) 2-[(cyclohexylcarbonyl)oxy]-1H-isoindole-1,3(2H)-dione
  • SMILES C1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O

Description

This cyclohexanecarboxylate ester integrates a rigid isoindolinone core with a flexible aliphatic chain, enabling precise spatial control in molecular architectures. The electron-deficient isoindolinone moiety enhances reactivity in transition-metal-catalyzed couplings, while the bench-stable ester group facilitates straightforward derivatization under standard conditions.

Application

1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl cyclohexanecarboxylate serves as a versatile dihydroisoindole-based building block for constructing complex heterocyclic scaffolds. Its orthogonal functionality enables selective derivatization in multistep syntheses, with the cyclohexanecarboxylate moiety offering enhanced stability and ease of purification. The molecule facilitates efficient coupling reactions and functions effectively in solid-phase and solution-phase synthesis workflows.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.68
  • LogP   2.3211
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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