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CS-W001157 4
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Ethyl 1-methylimidazole-4-carboxylate

  • CAS No. 41507-56-6

  • Cat. No. CS-0053951
  • Purity≥97%
  • MDL No.None

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

Ethyl 1-methylimidazole-4-carboxylate|CS-0053951

Structure of 41507-56-6

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General Information

  • CAS No. 41507-56-6
  • Cat. No. CS-0053951
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₂
  • Molecular Weight 154.17
  • Synonym(s) ethyl 1-methyl-1H-imidazole-4-carboxylate
  • SMILES O=C(C1=CN(C)C=N1)OCC

Description

Ethyl 1-methylimidazole-4-carboxylate features a pyridine-like imidazole core with a methyl group at the N1 position and an ester-functionalized C4 carbon. This electron-rich heterocycle integrates readily into synthetic sequences requiring stable, polarizable aromatic scaffolds. The ethyl ester moiety enables straightforward derivatization under standard conditions. The molecule exhibits excellent bench stability and solubility in common organic solvents.

Application

Ethyl 1-methylimidazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to imidazole-based scaffolds. Its ester functionality facilitates nucleophilic substitution and coupling reactions, while the N-methylated imidazole ring offers enhanced metabolic stability and favorable solubility profiles. This compound demonstrates excellent bench stability and compatibility with standard synthetic protocols, making it a practical choice for medicinal chemistry campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 57, # 3 p. 692 - 701,609 - 617
  • Route2
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      Ethyl 1-methylimidazole-4-carboxylate|CS-0053951
      41507-56-6

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 57, # 3 p. 692 - 701,609 - 617
  • Route3
    • null|null
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      Ethyl 1-methylimidazole-4-carboxylate|CS-0053951
      41507-56-6

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 42, # 7 p. 1463 - 1473

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

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   0.5968
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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