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tert-Butyl 6-hydroxy-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 1165923-89-6

  • Cat. No. CS-0030067
  • Purity≥95%
  • MDL No.MFCD20922040

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

tert-Butyl 6-hydroxy-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0030067

Structure of 1165923-89-6

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General Information

  • CAS No. 1165923-89-6
  • Cat. No. CS-0030067
  • Purity ≥95%
  • MDL No. MFCD20922040
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₁NO₃
  • Molecular Weight 263.33
  • Synonym(s) Tert-Butyl 6-Hydroxy-5-Methyl-3,4-Dihydroisoquinoline-2(1H)-Carboxylate(WX645100)
  • SMILES O=C(N1CC2=C(C(C)=C(O)C=C2)CC1)OC(C)(C)C

Synthesis

  • Route1
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • null|null
      1398414-09-9
    • ~%
    • In-stock
      tert-Butyl 6-hydroxy-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0030067
      1165923-89-6

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BRENNEMAN, Jehrod Burnett; HUBER, John D.; RAUDENBUSH, Brian Christopher; SARKO, Christopher Ronald Patent: WO2012/122340 A1, 2012 ; Location in patent: Page/Page column 62 ;
  • Route2
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • 5-Methyl-1,2,3,4-tetrahydroisoquinolin-6-ol|CS-0030065
      1165923-86-3
    • ~%
    • In-stock
      tert-Butyl 6-hydroxy-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0030067
      1165923-89-6

    References

    • GLAXO GROUP LIMITED Patent: WO2009/80724 A1, 2009 ; Location in patent: Page/Page column 27-28 ; WO 2009/080724 A1
  • Route3
    • null|null
      79099-07-3
    • ~%
    • In-stock
      tert-Butyl 6-hydroxy-5-methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0030067
      1165923-89-6

    References

    • GLAXO GROUP LIMITED; BAILEY, James, Matthew; BIT, Rino, Antonio; DEMONT, Emmanuel, Hubert; HARRISON, Lee, Andrew; JONES, Katherine, Louise; SMETHURST, Christian, Alan, Paul; WITHERINGTON, Jason Patent: WO2010/146105 A1, 2010 ; WO 2010/146105 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 : 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   49.77
  • LogP   2.99382
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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