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tert-Butyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

  • CAS No. 77497-74-6

  • Cat. No. CS-0101222
  • Molecule weight233.31
  • Purity≥97%
  • MDL No.MFCD04114841

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

tert-Butyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0101222

Structure of 77497-74-6

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General Information

  • CAS No. 77497-74-6
  • Cat. No. CS-0101222
  • Purity ≥97%
  • MDL No. MFCD04114841
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₂
  • Molecular Weight 233.31
  • Synonym(s) (S)-Tert-butyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
  • SMILES O=C([C@H]1NCC2=C(C=CC=C2)C1)OC(C)(C)C

Synthesis

  • Route1
    • null|null
      79276-06-5
    • ~%
    • tert-Butyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0101222
      77497-74-6

    References

    • US2004/192613 A1, ; Page/Page column 5 ;
  • Route2
    • 2-Benzyl 3-(tert-Butyl) (s)-3,4-dihydroisoquinoline-2,3(1h)-dicarboxylate|CS-0672144
      79276-05-4
    • ~76%
    • tert-Butyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0101222
      77497-74-6

    References

    • Salvadori, Severe; Balboni, Gianfranco; Guerrini, Remo; Tomatis, Roberto; Bianchi, Clementina; Bryant, Sharon D.; Cooper, Peter S.; Lazarus, Lawrence H. Journal of Medicinal Chemistry, 1997 , vol. 40, # 19 p. 3100 - 3108
  • Route3
    • L-Porretine Quinapril Impurity|CS-0229751
      74163-81-8
    • ~%
    • tert-Butyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0101222
      77497-74-6

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 19 p. 3100 - 3108

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

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   2.0426
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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