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CS-W001157 4
Total: USD 88.00

1,3-Dioxepan-2-one

  • CAS No. 4427-94-5

  • Cat. No. CS-0665438
  • Molecule weight116.12
  • Purity≥95%
  • MDL No.MFCD28360927

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

1,3-Dioxepan-2-one|CS-0665438

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General Information

  • CAS No. 4427-94-5
  • Cat. No. CS-0665438
  • Purity ≥95%
  • MDL No. MFCD28360927
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₃
  • Molecular Weight 116.12
  • Synonym(s) None
  • SMILES C1CCOC(=O)OC1

Description

1,3-Dioxepan-2-one is a seven-membered cyclic carbonate featuring a lactone functionality. This strained heterocycle exhibits enhanced reactivity in ring-opening polymerization processes and serves as a key monomer for synthesizing biodegradable polyesters. Its moderate stability under ambient conditions enables straightforward handling in synthetic workflows.

Application

1,3-Dioxepan-2-one serves as a versatile cyclic carbonate building block for the synthesis of biodegradable polymers and functionalized heterocycles. Its strained ring structure enables efficient ring-opening reactions with nucleophiles, facilitating the incorporation of diverse side chains under mild conditions. The compound exhibits good bench stability and compatibility with common functional groups, making it suitable for iterative synthesis in medicinal chemistry and materials science applications.

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   35.53
  • LogP   0.9334
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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