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CS-W001157 4
Total: USD 88.00

5-(Methoxycarbonyl)bicyclo[3.2.1]octane-1-carboxylic acid

  • CAS No. 110371-27-2

  • Cat. No. CS-0217942
  • Molecule weight212.24
  • Purity98+%
  • MDL No.None

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

5-(Methoxycarbonyl)bicyclo[3.2.1]octane-1-carboxylic acid|CS-0217942

Structure of 110371-27-2

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General Information

  • CAS No. 110371-27-2
  • Cat. No. CS-0217942
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O₄
  • Molecular Weight 212.24
  • Synonym(s) bicyclo[3.2.1]octane-1,5-dicarboxylic acid MonoMethyl ester
  • SMILES COC(=O)C12CCCC(CC1)(C2)C(=O)O

Synthesis

  • Route1
    • Dimethyl bicyclo[3.2.1]Octane-1,5-dicarboxylate|CS-0440335
      106004-11-9
    • ~67%
    • 5-(Methoxycarbonyl)bicyclo[3.2.1]octane-1-carboxylic acid|CS-0217942
      110371-27-2

    References

    • H. LUNDBECK A/S; LI, Guiying; ZHOU, Hao; WEISS, Jesse; DOLLER, Dario; FORD, James Patent: WO2012/88365 A1, 2012 ; Location in patent: Page/Page column 31 ; WO 2012/088365 A1
  • Route2

    References

    • H. LUNDBECK A/S; LI, Guiying; ZHOU, Hao; WEISS, Jesse; DOLLER, Dario; FORD, James Patent: WO2012/88365 A1, 2012 ; WO 2012/088365 A1
  • Route3

    References

    • H. LUNDBECK A/S; LI, Guiying; ZHOU, Hao; WEISS, Jesse; DOLLER, Dario; FORD, James Patent: WO2012/88365 A1, 2012 ; WO 2012/088365 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.5846
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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