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CS-W001157 4
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tert-Butyl-4-(isoquinolin-5-yl)piperazine-1-carboxylate

  • CAS No. 444620-69-3

  • Cat. No. CS-0060949
  • Purity≥97%
  • MDL No.None

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

tert-Butyl-4-(isoquinolin-5-yl)piperazine-1-carboxylate|CS-0060949

Structure of 444620-69-3

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General Information

  • CAS No. 444620-69-3
  • Cat. No. CS-0060949
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₃N₃O₂
  • Molecular Weight 313.39
  • Synonym(s) Tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=CN=CC=C32

Synthesis

  • Route1

    References

    • Kling, Andreas; Lange, Udo E. W.; Mack, Helmut; Bakker, Margot H. M.; Drescher, Karla U.; Hornberger, Wilfried; Hutchins, Charles W.; Moeller, Achim; Mueller, Reinhold; Schmidt, Martin; Unger, Liliane; Wicke, Karsten; Schellhaas, Kurt; Steiner, Gerd Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 24 p. 5567 - 5573
  • Route2

    References

    • BRISTOL-MYERS SQUIBB COMPANY; ORWAT, Michael J.; PINTO, Donald J.P.; SMITH II, Leon M.; SRIVASTAVA, Shefali Patent: WO2013/56060 A1, 2013 ; Location in patent: Paragraph 00269 ;
  • Route3

    References

    • Kling, Andreas; Lange, Udo E. W.; Mack, Helmut; Bakker, Margot H. M.; Drescher, Karla U.; Hornberger, Wilfried; Hutchins, Charles W.; Moeller, Achim; Mueller, Reinhold; Schmidt, Martin; Unger, Liliane; Wicke, Karsten; Schellhaas, Kurt; Steiner, Gerd Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 24 p. 5567 - 5573

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

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Computational Chemistry Data

  • TPSA   45.67
  • LogP   3.2919
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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