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CS-W001157 4
Total: USD 88.00

1-(2,3,5,6,8,9,11,12-Octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecin-15-yl)ethanone

  • CAS No. 41757-95-3

  • Cat. No. CS-W012065
  • Purity≥98%
  • MDL No.MFCD00188564

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

1-(2,3,5,6,8,9,11,12-Octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecin-15-yl)ethanone|CS-W012065

Structure of 41757-95-3

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General Information

  • CAS No. 41757-95-3
  • Cat. No. CS-W012065
  • Purity ≥98%
  • MDL No. MFCD00188564
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂O₆
  • Molecular Weight 310.35
  • Synonym(s) 4'-Acetylbenzo-15-crown 5-Ether
  • SMILES CC(C1=CC=C2OCCOCCOCCOCCOC2=C1)=O

Synthesis

  • Route1

    References

    • Paramonov, Sergey V.; Lokshin, Vladimir; Smolentsev, Artem B.; Glebov, Evgeni M.; Korolev, Valeri V.; Basok, Stepan S.; Lysenko, Konstantin A.; Delbaere, Stephanie; Fedorova, Olga A. Tetrahedron, 2012 , vol. 68, # 38 p. 7873 - 7883
  • Route2

    References

    • Talma, Auke G.; Vossen, Huib van; Sudhoelter, Ernst J. R.; Eerden, Johan van; Reinhoudt, David N. Synthesis, 1986 , # 8 p. 680 - 683
  • Route3

    References

    • Sakata, Kazunori; Shimoda, Manabu; Hashimoto, Mamoru Journal of Heterocyclic Chemistry, 1996 , vol. 33, # 6 p. 1593 - 1598

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

Quality Control

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Computational Chemistry Data

  • TPSA   63.22
  • LogP   1.7102
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   1

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