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CS-W001157 4
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3-Quinolinecarboxylic acid,4-chloro-8-cyano-,ethyl ester

  • CAS No. 77173-67-2

  • Cat. No. CS-0634394
  • Molecule weight260.68
  • Purity≥95%
  • MDL No.None

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

3-Quinolinecarboxylic acid,4-chloro-8-cyano-,ethyl ester|CS-0634394

Structure of 77173-67-2

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General Information

  • CAS No. 77173-67-2
  • Cat. No. CS-0634394
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉ClN₂O₂
  • Molecular Weight 260.68
  • Synonym(s) None
  • SMILES O=C(C1=C(Cl)C2=CC=CC(C#N)=C2N=C1)OCC

Description

Ethyl 4-chloro-8-cyano-3-quinolinecarboxylate features a sterically accessible quinoline core with complementary electron-withdrawing substituents, enabling direct functionalization in transition-metal-catalyzed cross-coupling reactions. The ester group enhances solubility and facilitates downstream derivatization under mild conditions.

Application

3-Quinolinecarboxylic acid, 4-chloro-8-cyano-, ethyl ester serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted quinoline scaffolds. Its compatibility with palladium-catalyzed cross-coupling reactions and tolerance of common functional groups facilitate downstream derivatization. The molecule exhibits good bench stability and simplifies purification, making it well-suited for iterative medicinal chemistry campaigns and process-scale applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   62.98
  • LogP   2.93658
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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