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CS-W001157 4
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tert-Butyl 6-amino-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 912846-68-5

  • Cat. No. CS-0132611
  • Molecule weight266.31
  • Purity≥98%
  • MDL No.MFCD18157611

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

tert-Butyl 6-amino-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0132611

Structure of 912846-68-5

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General Information

  • CAS No. 912846-68-5
  • Cat. No. CS-0132611
  • Purity ≥98%
  • MDL No. MFCD18157611
  • Storage -20°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉FN₂O₂
  • Molecular Weight 266.31
  • Synonym(s) tert-butyl 6-amino-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate
  • SMILES O=C(N1CC2=C(C=C(N)C(F)=C2)CC1)OC(C)(C)C

Synthesis

  • Route1
    • tert-Butyl 7-fluoro-6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0041114
      912846-67-4
    • ~99%
    • In-stock
      tert-Butyl 6-amino-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0132611
      912846-68-5

    References

    • Watson, Nigel S.; Adams, Carl; Belton, David; Brown, David; Burns-Kurtis, Cynthia L.; Chaudry, Laiq; Chan, Chuen; Convery, Maire A.; Davies, David E.; Exall, Anne M.; Harling, John D.; Irvine, Stephanie; Irving, Wendy R.; Kleanthous, Savvas; McLay, Iain M.; Pateman, Anthony J.; Patikis, Angela N.; Roethke, Theresa J.; Senger, Stefan; Stelman, Gary J.; Toomey, John R.; West, Robert I.; Whittaker, Caroline; Zhou, Ping; Young, Robert J. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 6 p. 1588 - 1592
  • Route2
    • 2,2,2-Trifluoro-N-(4-fluorophenethyl)acetamide|CS-0070402
      912846-63-0
    • ~%
    • In-stock
      tert-Butyl 6-amino-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0132611
      912846-68-5

    References

    • Watson, Nigel S.; Adams, Carl; Belton, David; Brown, David; Burns-Kurtis, Cynthia L.; Chaudry, Laiq; Chan, Chuen; Convery, Maire A.; Davies, David E.; Exall, Anne M.; Harling, John D.; Irvine, Stephanie; Irving, Wendy R.; Kleanthous, Savvas; McLay, Iain M.; Pateman, Anthony J.; Patikis, Angela N.; Roethke, Theresa J.; Senger, Stefan; Stelman, Gary J.; Toomey, John R.; West, Robert I.; Whittaker, Caroline; Zhou, Ping; Young, Robert J. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 6 p. 1588 - 1592
  • Route3
    • null|null
      912846-65-2
    • ~%
    • In-stock
      tert-Butyl 6-amino-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0132611
      912846-68-5

    References

    • Watson, Nigel S.; Adams, Carl; Belton, David; Brown, David; Burns-Kurtis, Cynthia L.; Chaudry, Laiq; Chan, Chuen; Convery, Maire A.; Davies, David E.; Exall, Anne M.; Harling, John D.; Irvine, Stephanie; Irving, Wendy R.; Kleanthous, Savvas; McLay, Iain M.; Pateman, Anthony J.; Patikis, Angela N.; Roethke, Theresa J.; Senger, Stefan; Stelman, Gary J.; Toomey, John R.; West, Robert I.; Whittaker, Caroline; Zhou, Ping; Young, Robert J. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 6 p. 1588 - 1592

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.56
  • LogP   2.7011
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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