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

  • CAS No. 444583-19-1

  • Cat. No. CS-0342108
  • Purity≥96%
  • MDL No.None

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

3(R)-Formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester|CS-0342108

Structure of 444583-19-1

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General Information

  • CAS No. 444583-19-1
  • Cat. No. CS-0342108
  • 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) (R)-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
    • (R)-tert-Butyl 3-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0433401
      845543-81-9
    • ~90%
    • 3(R)-Formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester|CS-0342108
      444583-19-1

    References

    • Bristol-Myers Squibb Company Patent: US2008/153868 A1, 2008 ; Location in patent: Page/Page column 16 ; US 20080153868 A1
  • Route2
    • null|null
      444583-18-0
    • ~99%
    • 3(R)-Formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester|CS-0342108
      444583-19-1

    References

    • Wacker, Dean A.; Zhao, Guohua; Kwon, Chet; Varnes, Jeffrey G.; Stein, Philip D. Patent: US2005/80074 A1, 2005 ; Location in patent: Page/Page column 72 ;
  • Route3

    References

    • Shi, Qing; Ornstein, Paul L.; Briner, Karin; Richardson, Timothy I.; Arnold, Macklin B.; Backer, Ryan T.; Buckmaster, Jennifer L.; Canada, Emily J.; Doecke, Christopher W.; Hertel, Larry W.; Honigschmidt, Nick; Hsiung, Hansen M.; Husain, Saba; Kuklish, Steve L.; Martinelli, Michael J.; Mullaney, Jeffrey T.; O'Brien, Thomas P.; Reinhard, Matt R.; Rothhaar, Roger; Shah, Jikesh; Wu, Zhipei; Xie, Chaoyu; Zgombick, John M.; Fisher, Matthew J. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 9 p. 2341 - 2346

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

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