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CS-W001157 4
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1,4,7-Trioxacyclotridecane-8,13-dione

  • CAS No. 6607-34-7

  • Cat. No. CS-0186301
  • Molecule weight216.23
  • Purity≥95%
  • MDL No.None

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

1,4,7-Trioxacyclotridecane-8,13-dione|CS-0186301

Structure of 6607-34-7

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General Information

  • CAS No. 6607-34-7
  • Cat. No. CS-0186301
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₅
  • Molecular Weight 216.23
  • Synonym(s) None
  • SMILES C1CCC(=O)OCCOCCOC(=O)C1

Description

1,4,7-Trioxacyclotridecane-8,13-dione features a macrocyclic framework with three ether oxygens and two ketone groups at opposite positions, enabling selective metal ion coordination. The rigid yet flexible structure supports chelation of transition metals in catalytic and sensing applications. This compound exhibits stability under standard handling conditions and integrates readily into complex molecular architectures.

Application

1,4,7-Trioxacyclotridecane-8,13-dione serves as a versatile macrocyclic diketone scaffold for the construction of complex heterocycles and metal-chelating systems. Its rigid, oxygen-rich framework enables predictable coordination chemistry and facilitates ring-expansion reactions. The compound exhibits bench stability and tolerates a range of functional groups, making it suitable for iterative synthesis in medicinal chemistry and catalyst design 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   61.83
  • LogP   0.6634
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   0

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