Description

Isopropyl 2,4-dichloropyrimidine-5-carboxylate (CAS No. 69312-43-2) is a high-purity, synthetic organic compound with the molecular formula C₈H₈Cl₂N₂O₂. This versatile pyrimidine derivative is widely used in pharmaceutical and agrochemical research as a key intermediate for the synthesis of heterocyclic compounds. The product is supplied as a crystalline solid with a purity of ≥98% (HPLC), ensuring consistency for demanding applications. Its IUPAC name, propan-2-yl 2,4-dichloropyrimidine-5-carboxylate, reflects its precise chemical structure featuring reactive chloro and ester functional groups. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. This compound is particularly valuable for nucleophilic substitution reactions and cross-coupling chemistry in drug discovery programs.

Properties

• CAS Number: 69312-43-2
• Complexity: 214
• IUPAC Name: isopropyl 2,4-dichloropyrimidine-5-carboxylate
• InChI: InChI=1S/C8H8Cl2N2O2/c1-4(2)14-7(13)5-3-11-8(10)12-6(5)9/h3-4H,1-2H3
• InChI Key: YRJUHXRUVTWBKE-UHFFFAOYSA-N
• Exact Mass: 233.9962829
• Molecular Formula: C8H8Cl2N2O2
• Molecular Weight: 235.06
• SMILES: CC(C)OC(=O)C1=CN=C(N=C1Cl)Cl
• Topological: 52.1
• Monoisotopic Mass: 233.9962829
• Synonyms: 69312-43-2, Isopropyl 2,4-dichloropyrimidine-5-carboxylate, isopropanyl 2,4-dichloropyrimidine-5-carboxylate, propan-2-yl 2,4-dichloropyrimidine-5-carboxylate, MFCD28167986, 1-methylethyl 2,4-dichloropyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 2,4-dichloro-, 1-methylethyl ester, SCHEMBL3865834, AKOS025147228, SB60470, AS-47701, SY237853, DB-114575, CS-0085444, Isopropyl2,4-dichloropyrimidine-5-carboxylate, F15606

Application

Isopropyl 2,4-dichloropyrimidine-5-carboxylate serves as a crucial building block in medicinal chemistry for the development of pyrimidine-based pharmaceuticals. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to create novel drug candidates. The dichloro substitution pattern allows for selective functionalization at either the 2- or 4-position, enabling diverse molecular architectures. In agrochemical research, it acts as an intermediate for synthesizing crop protection agents with improved efficacy. The isopropyl ester group enhances solubility in organic solvents while maintaining reactivity for further transformations.

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