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CS-W001157 4
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Tert-butyl 3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 138350-92-2

  • Cat. No. CS-0569005
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0569005

Structure of 138350-92-2

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General Information

  • CAS No. 138350-92-2
  • Cat. No. CS-0569005
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₂
  • Molecular Weight 233.31
  • Synonym(s) tert-butyl 3,4-dihydro-2(1H)-isoquinolinecarboxylate
  • SMILES CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1

Synthesis

  • Route1

    References

    • Schrittwieser, Joerg H.; Resch, Verena; Wallner, Silvia; Lienhart, Wolf-Dieter; Sattler, Johann H.; Resch, Jasmin; MacHeroux, Peter; Kroutil, Wolfgang Journal of Organic Chemistry, 2011 , vol. 76, # 16 p. 6703 - 6714
  • Route2

    References

    • Sadhu, Partha Sarathi; Kumar, Singam Naveen; Chandrasekharam, Malapaka; Pica-Mattoccia, Livia; Cioli, Donato; Rao, Vaidya Jayathirtha Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 2 p. 1103 - 1106
  • Route3
    • tert-Butyl 2-methylbenzylcarbamate|CS-1177624
      138350-83-1
    • ~%
    • Tert-butyl 3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0569005
      138350-92-2

    References

    • Clark, Robin D.; Jahangir Heterocycles, 1991 , vol. 32, # 9 p. 1699 - 1703

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   2.9798
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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