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tert-Butyl 7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 171049-42-6

  • Cat. No. CS-0188544
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0188544

Structure of 171049-42-6

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General Information

  • CAS No. 171049-42-6
  • Cat. No. CS-0188544
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈N₂O₄
  • Molecular Weight 278.30
  • Synonym(s) tert-butyl 7-nitro-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
  • SMILES CC(OC(N1CC2=C(C=CC([N+]([O-])=O)=C2)CC1)=O)(C)C

Synthesis

  • Route1

    References

    • ARRAY BIOPHARMA INC. Patent: WO2009/158426 A1, 2009 ; Location in patent: Page/Page column 108 ; WO 2009/158426 A1
  • Route2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

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   72.68
  • LogP   2.888
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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