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Methyl 5-chloropyrimidine-2-carboxylate

  • CAS No. 894797-00-3

  • Cat. No. CS-0036347
  • Purity≥98%
  • MDL No.None

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

Methyl 5-chloropyrimidine-2-carboxylate|CS-0036347

Structure of 894797-00-3

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General Information

  • CAS No. 894797-00-3
  • Cat. No. CS-0036347
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClN₂O₂
  • Molecular Weight 172.57
  • Synonym(s) 5-Chloropyrimidine-2-Carboxylic Acid Methyl Ester
  • SMILES COC(=O)C1=NC=C(C=N1)Cl

Description

Methyl 5-chloropyrimidine-2-carboxylate features a chlorinated pyrimidine core with a methyl ester at the C2 position, enabling direct incorporation into heterocyclic scaffolds. The electron-deficient ring system facilitates nucleophilic substitution reactions, while the ester group offers a handle for further derivatization under standard conditions. This bench-stable reagent streamlines access to functionalized pyrimidines in medicinal chemistry and materials synthesis.

Application

Methyl 5-chloropyrimidine-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds. The chloro group at the C5 position facilitates nucleophilic substitution reactions, while the ester functionality supports further derivatization. Its bench-stable nature and compatibility with standard coupling protocols make it well-suited for medicinal chemistry campaigns and process development.

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   0.9166
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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