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CS-W001157 4
Total: USD 88.00

Isoquinioline-1-carboxylic acid

  • CAS No. 486-73-7

  • Cat. No. CS-W002015
  • Purity≥98%
  • MDL No.MFCD00006901

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

Isoquinioline-1-carboxylic acid|CS-W002015

Structure of 486-73-7

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General Information

  • CAS No. 486-73-7
  • Cat. No. CS-W002015
  • Purity ≥98%
  • MDL No. MFCD00006901
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₂
  • Molecular Weight 173.17
  • Synonym(s) Isoquinoline-1-carboxylicacid
  • SMILES OC(=O)c1nccc2c1cccc2

Description

Isoquinoline-1-carboxylic acid was used in the preparation of 4-cyano-3-ethoxy-1-hydroxy-5,6,7,8-tetrahydroisoquinoline.

Application

Isoquinioline-1-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through standard coupling and functionalization reactions. Its carboxylic acid group facilitates amide bond formation and derivatization under mild conditions, while the fused quinoline core offers inherent stability and π-system compatibility for further transformations. The compound exhibits good bench stability and is amenable to purification via recrystallization or chromatography, making it well-suited for use in multi-step synthetic sequences targeting bioactive molecules.

Safety Information

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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   50.19
  • LogP   1.933
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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