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CS-W001157 4
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3(S)-Formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

  • CAS No. 145525-27-5

  • Cat. No. CS-0340287
  • Purity≥96%
  • MDL No.None

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

3(S)-Formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester|CS-0340287

Structure of 145525-27-5

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General Information

  • CAS No. 145525-27-5
  • Cat. No. CS-0340287
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉NO₃
  • Molecular Weight 261.32
  • Synonym(s) (S)-tert-Butyl 3-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C=O

Synthesis

  • Route1
    • 3(S)-3-Hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester|CS-0342273
      183958-71-6
    • ~%
    • 3(S)-Formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester|CS-0340287
      145525-27-5

    References

    • Truax, Valarie M.; Zhao, Huanyu; Katzman, Brooke M.; Prosser, Anthony R.; Alcaraz, Ana A.; Saindane, Manohar T.; Howard, Randy B.; Culver, Deborah; Arrendale, Richard F.; Gruddanti, Prahbakar R.; Evers, Taylor J.; Natchus, Michael G.; Snyder, James P.; Liotta, Dennis C.; Wilson, Lawrence J. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 11 p. 1025 - 1030
  • Route2
    • null|null
      160941-21-9
    • ~40%
    • 3(S)-Formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester|CS-0340287
      145525-27-5

    References

    • Byk, Gerardo; Lelievre, Yves; Duchesne, Marc; Clerc, Francois F.; Scherman, Daniel; Guitton, Jean Dominique Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 1 p. 115 - 124
  • Route3

    References

    • Truax, Valarie M.; Zhao, Huanyu; Katzman, Brooke M.; Prosser, Anthony R.; Alcaraz, Ana A.; Saindane, Manohar T.; Howard, Randy B.; Culver, Deborah; Arrendale, Richard F.; Gruddanti, Prahbakar R.; Evers, Taylor J.; Natchus, Michael G.; Snyder, James P.; Liotta, Dennis C.; Wilson, Lawrence J. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 11 p. 1025 - 1030

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   46.61
  • LogP   2.5473
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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