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tert-Butyl 7-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

  • CAS No. 676254-89-0

  • Cat. No. CS-0136412
  • Molecule weight249.31
  • Purity95+%
  • MDL No.None

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

tert-Butyl 7-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate|CS-0136412

Structure of 676254-89-0

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General Information

  • CAS No. 676254-89-0
  • Cat. No. CS-0136412
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₃
  • Molecular Weight 249.31
  • Synonym(s) 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-7-hydroxy-, 1,1-dimethylethyl ester
  • SMILES O=C(N1CCCC2=C1C=C(O)C=C2)OC(C)(C)C

Synthesis

  • Route1
    • null|null
      676254-90-3
    • ~86%
    • tert-Butyl 7-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate|CS-0136412
      676254-89-0

    References

    • ELI LILLY AND COMPANY Patent: WO2004/26837 A2, 2004 ; Location in patent: Page 13-14 ; WO 2004/026837 A2
  • Route2

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2008/58867 A2, 2008 ; Location in patent: Page/Page column 33-34 ; WO 2008/058867 A2
  • Route3

    References

    • Jesudason, Cynthia D.; Beavers, Lisa S.; Cramer, Jeffrey W.; Dill, Joelle; Finley, Don R.; Lindsley, Craig W.; Stevens, F. Craig; Gadski, Robert A.; Oldham, Samuel W.; Pickard, R. Todd; Siedem, Christopher S.; Sindelar, Dana K.; Singh, Ajay; Watson, Brian M.; Hipskind, Philip A. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 13 p. 3415 - 3418

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   3.0799
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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