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CS-W001157 4
Total: USD 88.00

Methyl 4-oxoadamantane-1-carboxylate

  • CAS No. 56674-88-5

  • Cat. No. CS-W001596
  • Purity≥95%
  • MDL No.None

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

Methyl 4-oxoadamantane-1-carboxylate|CS-W001596

Structure of 56674-88-5

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General Information

  • CAS No. 56674-88-5
  • Cat. No. CS-W001596
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.25
  • Synonym(s) Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-oxo-, methyl ester
  • SMILES O=C1[C@H]2C[C@@H]3C[C@](C[C@H]1C3)(C(OC)=O)C2

Synthesis

  • Route1

    References

    • Rohde, Jeffrey J.; Pan, Liping; Pliushchev, Marina; Link, James T. Patent: US2006/148871 A1, 2006 ; Location in patent: Page/Page column 7 ; US 20060148871 A1
  • Route2

    References

    • Madar, David J.; Djuric, Stevan W.; Michmerhuizen, Melissa J.; Kopecka, Hana A.; Li, Xiaofeng; Longenecker, Kenton L.; Pei, Zhonghua; Pireh, Daisy; Sham, Hing L.; Stewart, Kent D.; Szczepankiewicz, Bruce G.; Wiedeman, Paul E.; Yong, Hong Patent: US2005/215784 A1, 2005 ; US 20050215784 A1
  • Route3
    • null|null
      67-56-1
    • In-stock
      Idramantone|CS-4565
      20098-14-0
    • null|null
      64-18-6
    • ~64%
    • Methyl 4-oxoadamantane-1-carboxylate|CS-W001596
      56674-88-5

    References

    • McConville; Bradley; Zhou; Schiffrin; O'Neil Chemical Communications, 2014 , vol. 50, # 2 p. 186 - 188

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.5548
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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