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CS-W001157 4
Total: USD 88.00

1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

  • CAS No. 63586-82-3

  • Cat. No. CS-0317434
  • Molecule weight191.18
  • Purity95+%
  • MDL No.None

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

1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-0317434

Structure of 63586-82-3

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General Information

  • CAS No. 63586-82-3
  • Cat. No. CS-0317434
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) 1-Oxo-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
  • SMILES O=C(O)C1NC(C2=CC=CC=C2C1)=O

Synthesis

  • Route1
    • null|null
      101569-26-0
    • ~77%
    • 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-0317434
      63586-82-3

    References

    • Wells; Tao; Josef; Bihovsky Journal of Medicinal Chemistry, 2001 , vol. 44, # 21 p. 3488 - 3503
  • Route2
    • Methyl 1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate|CS-0768289
      23364-15-0
    • ~77%
    • 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-0317434
      63586-82-3

    References

    • Dou, Dengfeng; Viwanathan, Prasanth; Li, Yi; He, Guijia; Alliston, Kevin R.; Lushington, Gerald H.; Brown-Clay, Joshua D.; Padmanabhan; Groutas, William C. Journal of Combinatorial Chemistry, 2010 , vol. 12, # 6 p. 836 - 843
  • Route3
    • null|null
      89017-72-1
    • ~67%
    • 1-Oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CS-0317434
      63586-82-3
    • null|null
      89017-74-3

    References

    • Krogsgaard-Larsen; Nielsen; Curtis Journal of Medicinal Chemistry, 1984 , vol. 27, # 5 p. 585 - 591

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   0.4257
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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