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CS-W001157 4
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Methyl adamantane-1-carboxylate

  • CAS No. 711-01-3

  • Cat. No. CS-W010647
  • Molecule weight194.27
  • Purity≥98%
  • MDL No.MFCD01838519

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

Methyl adamantane-1-carboxylate|CS-W010647

Structure of 711-01-3

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General Information

  • CAS No. 711-01-3
  • Cat. No. CS-W010647
  • Purity ≥98%
  • MDL No. MFCD01838519
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O₂
  • Molecular Weight 194.27
  • Synonym(s) tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, methyl ester
  • SMILES O=C(OC)C12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Adamantane-carboxylic acid|CS-W017189
      828-51-3
    • ~99%
    • In-stock
      Methyl adamantane-1-carboxylate|CS-W010647
      711-01-3

    References

    • Al-Qawasmeh, Raed A.; Salameh, Bader A.; Alrazim, Rami; Aldamen, Murad A.; Voelter, Wolfgang Letters in Organic Chemistry, 2014 , vol. 11, # 7 p. 513 - 518
  • Route2
    • In-stock
      Adamantane-carboxylic acid|CS-W017189
      828-51-3
    • null|null
      18107-18-1
    • ~99%
    • In-stock
      Methyl adamantane-1-carboxylate|CS-W010647
      711-01-3

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/12249 A2, 2005 ; Location in patent: Page/Page column 33 ; WO 2005/012249 A2
  • Route3
    • In-stock
      3-(Hydroxymethyl)adamantane|CS-W020560
      770-71-8
    • null|null
      865-33-8
    • ~95%
    • In-stock
      Methyl adamantane-1-carboxylate|CS-W010647
      711-01-3

    References

    • Powell, Adam B.; Stahl, Shannon S. Organic Letters, 2013 , vol. 15, # 19 p. 5072 - 5075

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.3758
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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