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CS-W001157 4
Total: USD 88.00

3-(Adamantan-1-yl)propanoic acid

  • CAS No. 16269-16-2

  • Cat. No. CS-0433909
  • Purity≥95%
  • MDL No.MFCD00194029

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

3-(Adamantan-1-yl)propanoic acid|CS-0433909

Structure of 16269-16-2

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General Information

  • CAS No. 16269-16-2
  • Cat. No. CS-0433909
  • Purity ≥95%
  • MDL No. MFCD00194029
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀O₂
  • Molecular Weight 208.30
  • Synonym(s) 3-(Tricyclo[3.3.1.1~3,7~]dec-1-yl)propanoic acid
  • SMILES O=C(O)CCC1(C2)CC3CC2CC(C3)C1

Synthesis

  • Route1
    • (E)-3-(1-Adamantyl)prop-2-enoic acid|CS-0752282
      136258-27-0
    • ~99%
    • In-stock
      3-(Adamantan-1-yl)propanoic acid|CS-0433909
      16269-16-2

    References

    • ORCHID RESEARCH LABORATORIES LTD.; RAJAGOPAL, Sridharan; THANGAPAZHAM, Selvakumar; PAUL-SATYASEELA, Maneesh; BALASUBRAMANIAN, Gopalan; SHAKTI SINGH, Solanki; KUPPUSAMY, Bharathimohan; KACHHADIA, Virendra; CHENNIAPPAN, Vinoth Kumar; GANESAN, Karthikeyan; NARAYANAN, Shridhar Patent: WO2011/58582 A1, 2011 ; Location in patent: Page/Page column 23 ; WO 2011/058582 A1
  • Route2
    • 3-(Adamantan-1-yl)propanenitrile|CS-0305780
      52582-89-5
    • ~90%
    • In-stock
      3-(Adamantan-1-yl)propanoic acid|CS-0433909
      16269-16-2

    References

    • LABORATORIOS ALMIRALL, S.A. Patent: WO2009/68177 A1, 2009 ; Location in patent: Page/Page column 35 ; WO 2009/068177 A1
  • Route3
    • Methyl 3-(1-Adamantyl)Propanoate|CS-0766095
      29542-59-4
    • ~97%
    • In-stock
      3-(Adamantan-1-yl)propanoic acid|CS-0433909
      16269-16-2

    References

    • Nicolaou, K. C.; Stepan, Antonia F.; Lister, Troy; Li, Ang; Montero, Ana; et al. Journal of the American Chemical Society, 2008 , vol. 130, p. 13110 - 13119

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.0676
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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