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CS-W001157 4
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1-Phenyl-3-oxabicyclo[3.1.0]Hexan-2-one

  • CAS No. 63106-93-4

  • Cat. No. CS-0454361
  • Purity≥98%
  • MDL No.None

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

1-Phenyl-3-oxabicyclo[3.1.0]Hexan-2-one|CS-0454361

Structure of 63106-93-4

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General Information

  • CAS No. 63106-93-4
  • Cat. No. CS-0454361
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂
  • Molecular Weight 174.20
  • Synonym(s) Milnacipran HClPI-1
  • SMILES C1=CC=C(C=C1)C23CC3COC2=O

Description

1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one features a rigid, fused bicyclic framework with a strategically positioned ketone and oxygen heteroatom. This configuration imparts high stability and distinct electronic properties, enabling its use in asymmetric synthesis and as a building block for complex cyclic architectures.

Application

1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one serves as a versatile bicyclic scaffold for stereoselective synthesis, enabling efficient access to complex carbocyclic and heterocyclic frameworks. Its strained bridgehead ketone and embedded ether functionality support a range of transformations including nucleophilic additions and cycloadditions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and natural product synthesis.

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-H332-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   26.3
  • LogP   1.5011
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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