Extracurricular laboratory: Synthetic route of C7H12O4

105-53-3, name is Diethyl malonate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Product Details of 105-53-3

105-53-3, name is Diethyl malonate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Product Details of 105-53-3

Synthesis of 2,2-dially malonic acid diethyl ester; To a mixture of diethyl malonate (10 g, 62.5 mmol) and bromoalkane (14.25 g, 187.5 mmol) was added a concentrated solution of sodium ethoxide (8.6 g of sodium in 70 m L of ethanol) slowly with continuous stirring by maintaining the temperature in between 5-10 0C. After addition of sodium ethoxide, the reaction mixture was allowed to stir at the same temperature for another 1h after which the cold-water bath was removed and the mixture was allowed to stir overnight at EPO room temperature. The excess solvent was removed, the residue was added in water and extracted in ethyl acetate. The organic phase was dried over Na2SO4 and evaporated to give a light yellow liquid. The crude material was purified by vacuum distillation to get a colorless liquid.1H NMR (400 MHz, CDCI3): 1.24 (t, 6H), 2.64 (d, 4H), 4.18 (q, 4H), 5.07-5.14 (m, 4H), 5.59-5.73(m, 2H).Mass: 240 [M]+.

The synthetic route of 105-53-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; INDIAN INSTITUTE OF TECHNOLOGY BOMBAY; WO2006/117800; (2006); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics