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CS-W001157 4
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3H-Spiro[isobenzofuran-1,4'-piperidin]-3-one

  • CAS No. 37663-46-0

  • Cat. No. CS-0047529
  • Purity≥95%
  • MDL No.MFCD11045415

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

3H-Spiro[isobenzofuran-1,4'-piperidin]-3-one|CS-0047529

Structure of 37663-46-0

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General Information

  • CAS No. 37663-46-0
  • Cat. No. CS-0047529
  • Purity ≥95%
  • MDL No. MFCD11045415
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₂
  • Molecular Weight 203.24
  • Synonym(s) Spiro[phthalan-1,4'-piperidin]-3-one
  • SMILES O=C1OC2(CCNCC2)C3=C1C=CC=C3

Description

3H-Spiro[isobenzofuran-1,4'-piperidin]-3-one features a rigid spirocyclic architecture integrating an isobenzofuran moiety with a piperidinone ring, offering enhanced metabolic stability and defined three-dimensional structure. This scaffold serves as a privileged core in medicinal chemistry, enabling precise spatial positioning of functional groups for targeted receptor interactions.

Application

3H-Spiro[isobenzofuran-1,4'-piperidin]-3-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient construction of complex spirocyclic scaffolds. Its rigid spiro architecture and complementary functional groups facilitate diverse transformations, including nucleophilic additions and transition-metal-catalyzed couplings. The compound exhibits good bench stability and compatibility with common protecting group strategies, supporting its use in multi-step syntheses of bioactive molecules.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   1.4357
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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