For research use only. Not for therapeutic Use.
Ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate (Cat No.: R000775) is a heterocyclic compound featuring a pyrimidine ring substituted with a chloro group at position 4, a methylthio group at position 2, and an ethyl ester at position 5. It serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals, especially in the development of pyrimidine-based bioactive molecules. Its electron-rich and electron-deficient sites allow for nucleophilic substitutions and cross-coupling reactions, making it valuable in medicinal chemistry and heterocyclic compound development.
| CAS Number | 5909-24-0 |
| Synonyms | 2-Methylthio-4-chloro-5-ethoxycarbonylpyrimidine; 4-Chloro-2-(methylthio)-5-pyrimidinecarboxylic Acid Ethyl Ester; 4-Chloro-2-methane-?sulfanylpyrimidine-5-carboxylic Acid Ethyl Ester; NSC 123534; |
| Molecular Formula | C8H9ClN2O2S |
| Purity | ≥95% |
| Storage | Store at -20C |
| IUPAC Name | ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3 |
| InChIKey | SNNHLSHDDGJVDM-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1=CN=C(N=C1Cl)SC |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
