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CS-W001157 4
Total: USD 88.00

2-Oxaspiro[4.6]Undecane-1,3-dione

  • CAS No. 4401-21-2

  • Cat. No. CS-0486955
  • Molecule weight182.22
  • Purity≥98%
  • MDL No.MFCD06808627

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

2-Oxaspiro[4.6]Undecane-1,3-dione|CS-0486955

Structure of 4401-21-2

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General Information

  • CAS No. 4401-21-2
  • Cat. No. CS-0486955
  • Purity ≥98%
  • MDL No. MFCD06808627
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃
  • Molecular Weight 182.22
  • Synonym(s) Cycloheptaneacetic acid1-carboxycyclicanhydride
  • SMILES O=C1CC2(CCCCCC2)C(=O)O1

Synthesis

  • Route1
    • Ethyl 2-cyano-2-cycloheptylideneacetate|CS-1722573
      7402-61-1
    • ~%
    • 2-Oxaspiro[4.6]Undecane-1,3-dione|CS-0486955
      4401-21-2

    References

    • Badger; Schwartz; Picker; Dorman; Bradley; Cheeseman; DiMartino; Hanna; Mirabelli Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 2963 - 2970
  • Route2
    • null|null
      502-42-1
    • ~%
    • 2-Oxaspiro[4.6]Undecane-1,3-dione|CS-0486955
      4401-21-2

    References

    • Badger; Schwartz; Picker; Dorman; Bradley; Cheeseman; DiMartino; Hanna; Mirabelli Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 2963 - 2970
  • Route3
    • null|null
      67950-96-3
    • ~%
    • 2-Oxaspiro[4.6]Undecane-1,3-dione|CS-0486955
      4401-21-2

    References

    • Vogel Journal of the Chemical Society, 1928 , p. 2025

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2923
Class : 8 (6.1)
Packing Group : Ⅲ
Hazard Statements : H301-H311-H314-H331
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.8005
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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