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CS-W001157 4
Total: USD 88.00

Methyl quinoline-3-carboxylate

  • CAS No. 53951-84-1

  • Cat. No. CS-0097864
  • Purity≥97%
  • MDL No.MFCD03550859

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

Methyl quinoline-3-carboxylate|CS-0097864

Structure of 53951-84-1

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General Information

  • CAS No. 53951-84-1
  • Cat. No. CS-0097864
  • Purity ≥97%
  • MDL No. MFCD03550859
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.19
  • Synonym(s) 3-Quinolinecarboxylic acid, methyl ester
  • SMILES O=C(OC)C1=CC2=CC=CC=C2N=C1

Description

Methyl quinoline-3-carboxylate is a bench-stable heterocyclic ester featuring a quinoline core with a methyl ester group at the 3-position. This compound integrates readily into synthetic routes for bioactive molecules, leveraging its electron-deficient aromatic system and compatibility with standard coupling conditions.

Application

Methyl quinoline-3-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to quinoline-based pharmaceutical intermediates and agrochemical scaffolds. Its ester functionality supports orthogonal transformations, while the electron-deficient quinoline core facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions. Bench-stable and readily purified, it functions effectively in standard reaction protocols for heterocycle elaboration and late-stage functionalization.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Quinoline-3-carboxylic acid|CS-W007519
      6480-68-8
    • ~99%
    • In-stock
      Methyl quinoline-3-carboxylate|CS-0097864
      53951-84-1

    References

    • LUPIN LIMITED; SHUKLA, Manojkumar, Ramprasad; CHAUDHARI, Vinod , Dinkar; SARDE, Ankush, Gangaram; PHADTARE, Ramesh, Dattatraya; TRYAMBAKE, Mahadeo, Bhaskar; PRAMEELA, Dronamraju; KULKARNI, Sanjeev, Anant; PALLE, Venkata, P.; KAMBOJ, Rajender, Kumar Patent: WO2014/33604 A1, 2014 ; Location in patent: Page/Page column 48 ;
  • Route2
    • null|null
      159763-31-2
    • ~68%
    • In-stock
      Methyl quinoline-3-carboxylate|CS-0097864
      53951-84-1

    References

    • O'Dell, David K.; Nicholas, Kenneth M. Journal of Organic Chemistry, 2003 , vol. 68, # 16 p. 6427 - 6430
  • Route3
    • null|null
      124957-67-1
    • ~86%
    • In-stock
      Methyl quinoline-3-carboxylate|CS-0097864
      53951-84-1

    References

    • Batchu, Harikrishna; Bhattacharyya, Soumya; Batra, Sanjay Organic Letters, 2012 , vol. 14, # 24 p. 6330 - 6333

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.0214
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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