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CS-W001157 4
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Methyl 1-chloroisoquinoline-4-carboxylate

  • CAS No. 37497-86-2

  • Cat. No. CS-0150766
  • Purity≥96%
  • MDL No.MFCD00140353

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

Methyl 1-chloroisoquinoline-4-carboxylate|CS-0150766

Structure of 37497-86-2

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General Information

  • CAS No. 37497-86-2
  • Cat. No. CS-0150766
  • Purity ≥96%
  • MDL No. MFCD00140353
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈ClNO₂
  • Molecular Weight 221.64
  • Synonym(s) METHYL 1-CHLORO-4-ISOQUINOLINECARBOXYLATE
  • SMILES COC(=O)C1=CN=C(C2=CC=CC=C21)Cl

Description

Methyl 1-chloroisoquinoline-4-carboxylate features a chlorine-substituted isoquinoline core with a methyl ester at the C4 position, enabling direct functionalization in cross-coupling and nucleophilic substitution reactions. This bench-stable derivative integrates readily into synthetic sequences requiring electron-deficient heterocyclic scaffolds.

Application

Methyl 1-chloroisoquinoline-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C1 position of the isoquinoline core. The chlorine substituent facilitates nucleophilic substitution reactions, while the ester group supports further derivatization via hydrolysis or reduction. Its bench-stable nature and compatibility with standard coupling protocols make it valuable for constructing complex heterocyclic scaffolds in API development.

Synthesis

  • Route1
    • 1-Oxo-1,2-dihydro-isoquinoline-4-carboxylic acid methyl ester|CS-0341097
      37497-84-0
    • ~%
    • In-stock
      Methyl 1-chloroisoquinoline-4-carboxylate|CS-0150766
      37497-86-2

    References

    • US6511987 B1, ;

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.6748
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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