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Methyl 2-methylpyrimidine-5-carboxylate

  • CAS No. 5571-03-9

  • Cat. No. CS-0029749
  • Purity≥98%
  • MDL No.MFCD11111634

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

Methyl 2-methylpyrimidine-5-carboxylate|CS-0029749

Structure of 5571-03-9

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General Information

  • CAS No. 5571-03-9
  • Cat. No. CS-0029749
  • Purity ≥98%
  • MDL No. MFCD11111634
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂
  • Molecular Weight 152.15
  • Synonym(s) 5-Pyrimidinecarboxylic acid, 2-methyl-, methyl ester (7CI,8CI,9CI)
  • SMILES O=C(C1=CN=C(C)N=C1)OC

Description

Methyl 2-methylpyrimidine-5-carboxylate is a bench-stable pyrimidine derivative featuring a methyl group at the 2-position and a carboxylate ester at the 5-position. This configuration imparts enhanced solubility in organic solvents and facilitates direct incorporation into heterocyclic scaffolds via cross-coupling or nucleophilic substitution reactions, streamlining access to bioactive intermediates in medicinal chemistry.

Application

Methyl 2-methylpyrimidine-5-carboxylate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to pyrimidine-based scaffolds. Its methyl ester group facilitates straightforward derivatization, while the 2-methyl substitution enhances regioselectivity in downstream functionalizations. The compound exhibits good bench stability and compatibility with standard coupling and cyclization protocols, making it suitable for modular synthesis of bioactive heterocycles.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 133, # 31 p. 12285 - 12292
  • Route2
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    • In-stock
      Methyl 2-methylpyrimidine-5-carboxylate|CS-0029749
      5571-03-9

    References

    • Journal of the American Chemical Society, , vol. 133, # 31 p. 12285 - 12292

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   52.08
  • LogP   0.57162
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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