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CS-W001157 4
Total: USD 88.00

1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid

  • CAS No. 34014-51-2

  • Cat. No. CS-0007678
  • Purity≥97%
  • MDL No.MFCD00140316

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

1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid|CS-0007678

Structure of 34014-51-2

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General Information

  • CAS No. 34014-51-2
  • Cat. No. CS-0007678
  • Purity ≥97%
  • MDL No. MFCD00140316
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₃
  • Molecular Weight 189.17
  • Synonym(s) 1-OXO-1,2-DIHYDRO-ISOQUINOLINE-4-CARBOXYLIC ACID
  • SMILES O=C(C(C1=C2C=CC=C1)=CNC2=O)O

Description

This 1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid features a rigid, electron-deficient isoquinoline core paired with a carboxylic acid handle, enabling direct integration into peptide couplings and heterocyclic diversification. The scaffold exhibits bench-stable behavior and compatibility with standard amide formation protocols.

Synthesis

  • Route1
    • In-stock
      4-Bromoisoquinolin-1(2H)-one|CS-W020515
      3951-95-9
    • null|null
      124-38-9
    • ~75%
    • In-stock
      1-Oxo-1,2-dihydroisoquinoline-4-carboxylic acid|CS-0007678
      34014-51-2

    References

    • Sercel, Anthony D.; Sanchez, Joseph P.; Showalter, H. D. Hollis Synthetic Communications, 2007 , vol. 37, # 23 p. 4199 - 4208
  • Route2

    References

    • Liebigs Annalen der Chemie, , # 5 p. 819 - 827
  • Route3

    References

    • Liebigs Annalen der Chemie, , # 5 p. 819 - 827

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.2263
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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