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CS-W001157 4
Total: USD 88.00

(S)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

  • CAS No. 79261-58-8

  • Cat. No. CS-W002660
  • Purity≥98%
  • MDL No.MFCD00672545

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

(S)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-W002660

Structure of 79261-58-8

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General Information

  • CAS No. 79261-58-8
  • Cat. No. CS-W002660
  • Purity ≥98%
  • MDL No. MFCD00672545
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₇NO₄
  • Molecular Weight 311.33
  • Synonym(s) 2,3(1H)-isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (3S)-
  • SMILES O=C(N1CC2=C(C=CC=C2)C[C@H]1C(O)=O)OCC3=CC=CC=C3

Synthesis

  • Route1
    • L-Porretine Quinapril Impurity|CS-0229751
      74163-81-8
    • null|null
      501-53-1
    • ~98%
    • In-stock
      (S)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-W002660
      79261-58-8

    References

    • Tarver Jr.; Pfizenmayer; Joullie Journal of Organic Chemistry, 2001 , vol. 66, # 23 p. 7575 - 7587
  • Route2
    • In-stock
      N-(Benzyloxycarbonyloxy)succinimide|CS-D0812
      13139-17-8
    • L-Porretine Quinapril Impurity|CS-0229751
      74163-81-8
    • ~76%
    • In-stock
      (S)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-W002660
      79261-58-8

    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
    • null|null
      501-53-1
    • (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride|CS-0155865
      77497-95-1
    • ~94%
    • In-stock
      (S)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-W002660
      79261-58-8

    References

    • Peters, Byron K.; Chakka, Sai Kumar; Naicker, Tricia; Maguire, Glenn E.M.; Kruger, Hendrik G.; Andersson, Pher G.; Govender, Thavendran Tetrahedron Asymmetry, 2010 , vol. 21, # 6 p. 679 - 687

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   66.84
  • LogP   2.8347
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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