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CS-W001157 4
Total: USD 88.00

2-(Cyclohexylthio)isoindoline-1,3-dione

  • CAS No. 17796-82-6

  • Cat. No. CS-0155316
  • Purity≥97%
  • MDL No.MFCD00072247

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

2-(Cyclohexylthio)isoindoline-1,3-dione|CS-0155316

Structure of 17796-82-6

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General Information

  • CAS No. 17796-82-6
  • Cat. No. CS-0155316
  • Purity ≥97%
  • MDL No. MFCD00072247
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₂S
  • Molecular Weight 261.34
  • Synonym(s) tert-butoxy(chloro)diphenylsilane
  • SMILES C1CCC(CC1)SN2C(=O)C3=CC=CC=C3C2=O

Description

This isoindoline-1,3-dione derivative features a cyclohexylthio substituent at the 2-position, enhancing lipophilicity and steric bulk. The electron-deficient dione core enables participation in cycloaddition reactions and serves as a stable scaffold for conjugate additions. Designed for synthetic applications requiring robust, functionalized heterocyclic intermediates under standard bench conditions.

Application

2-(Cyclohexylthio)isoindoline-1,3-dione serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through standard coupling and functionalization reactions. Its cyclohexylthio group offers enhanced lipophilicity and metabolic stability, while the phthalimide core provides excellent functional group tolerance and ease of purification. This compound facilitates efficient synthesis of complex architectures under mild conditions, making it well-suited for high-throughput screening campaigns and process-scale applications.

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 52, # 14 p. 4142 - 4148
  • Route2
    • null|null
      136918-14-4
    • In-stock
      Dicyclohexyl disulfide|CS-0155315
      2550-40-5
    • ~%
    • In-stock
      2-(Cyclohexylthio)isoindoline-1,3-dione|CS-0155316
      17796-82-6

    References

    • US5719294 A1, ;
  • Route3
    • null|null
      103-83-3
    • null|null
      136918-14-4
    • In-stock
      Dicyclohexyl disulfide|CS-0155315
      2550-40-5
    • ~%
    • In-stock
      2-(Cyclohexylthio)isoindoline-1,3-dione|CS-0155316
      17796-82-6

    References

    • US5719294 A1, ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   3.2635
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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