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CS-W001157 4
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Ethyl pyrimidine-5-carboxylate

  • CAS No. 40929-50-8

  • Cat. No. CS-0188316
  • Purity≥95%
  • MDL No.None

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

Ethyl pyrimidine-5-carboxylate|CS-0188316

Structure of 40929-50-8

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General Information

  • CAS No. 40929-50-8
  • Cat. No. CS-0188316
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂
  • Molecular Weight 152.15
  • Synonym(s) Ethyl 5-pyrimidinecarboxylate
  • SMILES CCOC(=O)C1=CN=CN=C1

Description

Ethyl pyrimidine-5-carboxylate features a pyrimidine core with a carboxylate ester at the 5-position, offering a versatile scaffold for medicinal chemistry. This electron-deficient heterocycle integrates readily into synthetic routes targeting bioactive compounds. The ethyl ester group enables controlled hydrolysis and derivatization under standard conditions.

Application

Ethyl pyrimidine-5-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds. Its ester functionality facilitates nucleophilic acyl substitution and subsequent derivatization, while the electron-deficient pyrimidine ring supports palladium-catalyzed cross-coupling reactions. The compound exhibits excellent bench stability and simplifies purification in multistep syntheses, making it well-suited for the construction of bioactive heterocycles and API intermediates.

Synthesis

  • Route1
    • In-stock
      5-Bromopyrimidine|CS-W008017
      4595-59-9
    • null|null
      64-17-5
    • null|null
      201230-82-2
    • ~99%
    • In-stock
      Ethyl pyrimidine-5-carboxylate|CS-0188316
      40929-50-8

    References

    • Head, Robert A.; Ibbotson, Arthur Tetrahedron Letters, 1984 , vol. 25, # 51 p. 5939 - 5942
  • Route2

    References

    • Rho; Abuh Synthetic Communications, 1994 , vol. 24, # 2 p. 253 - 256

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   0.6533
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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