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CS-W001157 4
Total: USD 88.00

3,4-Dihydro-2H-1,5-benzodioxepin

  • CAS No. 7216-18-4

  • Cat. No. CS-0186735
  • Purity≥98%
  • MDL No.None

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

3,4-Dihydro-2H-1,5-benzodioxepin|CS-0186735

Structure of 7216-18-4

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General Information

  • CAS No. 7216-18-4
  • Cat. No. CS-0186735
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.17
  • Synonym(s) 3,4-Dihydro-2H-1,5-benzodioxepine
  • SMILES C1=CC=C2C(=C1)OCCCO2

Description

3,4-Dihydro-2H-1,5-benzodioxepin features a fused benzodioxepin core with a saturated 7-membered ring, offering enhanced metabolic stability and conformational rigidity. This scaffold integrates readily into bioactive molecules, particularly in CNS-targeted therapeutics, where its lipophilic character supports membrane permeability and target engagement.

Application

3,4-Dihydro-2H-1,5-benzodioxepin serves as a stable, bench-ready heterocyclic building block featuring a fused benzene-dioxepine core. Its rigid, planar structure facilitates incorporation into bioactive scaffolds, while the ether-linked oxygen atoms offer orthogonal functionalization potential. The compound exhibits excellent stability and compatibility with standard coupling reactions, enabling efficient access to complex architectures in medicinal chemistry and materials synthesis.

Synthesis

  • Route1
    • null|null
      120-80-9
    • In-stock
      1,3-Dibromopropane|CS-W020641
      109-64-8
    • ~89%
    • In-stock
      3,4-Dihydro-2H-1,5-benzodioxepin|CS-0186735
      7216-18-4

    References

    • Huang, Wei-Bin; Guo, Ying; Jiang, Jian-An; Pan, Xian-Dao; Liao, Dao-Hua; Ji, Ya-Fei Synlett, 2013 , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746
  • Route2
    • null|null
      51974-49-3
    • ~%
    • In-stock
      3,4-Dihydro-2H-1,5-benzodioxepin|CS-0186735
      7216-18-4

    References

    • Justus Liebigs Annalen der Chemie, , vol. 528, p. 162,178
  • Route3
    • null|null
      76670-08-1
    • ~%
    • In-stock
      3,4-Dihydro-2H-1,5-benzodioxepin|CS-0186735
      7216-18-4
    • In-stock
      2-Allyloxyphenol,97%(stabilized with MEHQ)|CS-0010474
      1126-20-1

    References

    • Journal of Organic Chemistry, , vol. 48, # 22 p. 3979 - 3982

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   18.46
  • LogP   1.8479
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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