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Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate

  • CAS No. 77156-85-5

  • Cat. No. CS-0046187
  • Molecule weight265.69
  • Purity≥95%
  • MDL No.MFCD02217815

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

Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate|CS-0046187

Structure of 77156-85-5

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General Information

  • CAS No. 77156-85-5
  • Cat. No. CS-0046187
  • Purity ≥95%
  • MDL No. MFCD02217815
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂ClNO₃
  • Molecular Weight 265.69
  • Synonym(s) Ethyl 4-chloro-7-Methoxyquinoline-3-caroboxylate
  • SMILES O=C(C1=C(Cl)C2=CC=C(OC)C=C2N=C1)OCC

Description

Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate features a quinoline core with orthogonal electron-withdrawing (chloro) and electron-donating (methoxy) substituents, enabling tailored reactivity in cross-coupling and heterocyclic synthesis. The ester handle facilitates derivatization under standard conditions.

Application

Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions at the C4 chloro position. The methoxy group at C7 provides electronic modulation and enhances solubility, while the ester functionality supports subsequent transformations such as hydrolysis or reduction. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry and process development workflows.

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   48.42
  • LogP   3.0735
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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