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CS-W001157 4
Total: USD 88.00

Methyl quinoline-6-carboxylate

  • CAS No. 38896-30-9

  • Cat. No. CS-W002712
  • Purity≥98%
  • MDL No.MFCD00956766

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

Methyl quinoline-6-carboxylate|CS-W002712

Structure of 38896-30-9

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General Information

  • CAS No. 38896-30-9
  • Cat. No. CS-W002712
  • Purity ≥98%
  • MDL No. MFCD00956766
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight None
  • Synonym(s) 6-Quinolinecarboxylic acid, methyl ester
  • SMILES COC(C1=CC=C2C(C=CC=N2)=C1)=O

Description

Methyl quinoline-6-carboxylate features a quinoline core with a methyl ester at the 6-position, offering a rigid, electron-deficient heteroaromatic scaffold. This configuration enhances stability and facilitates integration into synthetic routes for pharmaceutical intermediates and ligand development. The compound exhibits favorable solubility in organic solvents and maintains integrity under standard bench conditions.

Application

Methyl quinoline-6-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to quinoline-based pharmaceutical scaffolds. Its carboxylate functionality facilitates nucleophilic substitution and transition-metal-catalyzed coupling reactions, while the quinoline core offers inherent stability and favorable pharmacokinetic properties. The compound exhibits excellent bench stability and is readily purified by standard chromatographic methods, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Quinoline-6-carboxylic acid|CS-W004855
      10349-57-2
    • ~99%
    • In-stock
      Methyl quinoline-6-carboxylate|CS-W002712
      38896-30-9

    References

    • Abe, Hideki; Sato, Akimi; Tokishita, Shin-Ichi; Ohta, Toshihiro; Ito, Hisanaka Heterocycles, 2011 , vol. 83, # 7 p. 1649 - 1658
  • Route2
    • null|null
      67-56-1
    • In-stock
      6-Chloroquinoline|CS-W007925
      612-57-7
    • null|null
      201230-82-2
    • ~76%
    • In-stock
      Methyl quinoline-6-carboxylate|CS-W002712
      38896-30-9

    References

    • Watson, Donald A.; Fan, Xuexiang; Buchwald, Stephen L. Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7096 - 7101
  • Route3
    • null|null
      74-98-6
    • Quinolin-6-yl trifluoromethanesulfonate|CS-W016719
      173089-80-0
    • ~%
    • In-stock
      Methyl quinoline-6-carboxylate|CS-W002712
      38896-30-9

    References

    • Hoechst Aktiengesellschaft Patent: US6093729 A1, 2000 ; US 6093729 A

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-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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