Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Diethyl Malonate | HCID 7761 | — |
| Reactant | Thionyl Chloride | HCID 24386 | — |
| Reactant | Magnesium Chloride | HCID 5360315 | — |
| Reactant | 2-(2-Chlorophenyl)-2-methylpropanoic acid | HCID 50986327 | — |
| Solvent | Hydrochloric Acid | HCID 313 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 67099724 | HCID 67099724 | 74.5% |
Reaction Steps
A solution of 2-(2-chlorophenyl)-2-methylpropanoic acid (2.55 g, 12.8 mmol) in thionyl chloride (50.0 mL, 685 mmol) was heated at 95° C. for 2 hours. The solution was concentrated in vacuo, azeotroped using toluene (2×100 mL), and dried in vacuo to give the crude acid chloride. A mixture of diethyl malonate (1.94 mL, 12.8 mmol) and MgCl2 (1.22 g, 12.8 mmol) in ACN (50 mL) was cooled to 0° C. TEA (3.75 mL, 27.0 mmol) was added slowly, and the mixture was stirred at 25° C. for 2 hours. A solution of the acid chloride in ACN (50 mL) was added, and the mixture was heated at 50° C. for 2 days. The solution was diluted with 10% HCl (aq) (200 mL) and extracted with EtOAc (3×100 mL). The combined organic layers were washed with 2N NaOH (aq) (3×200 mL) and then with brine (75 mL). The organic layer was dried over MgSO4, concentrated, and purified by flash column chromatography (silica, 0-100% DCM in hexane) to give diethyl 2-(2-(2-chlorophenyl)-2-methylpropanoyl)malonate (3.25 g). MS m/e=341 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07928139B2 |
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| Source dataset | uspto-grants-2011_04 |
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| ORD ID | ord-6c3c61a628574eb481c9ef9ee0171b69 |
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| Source note | uspto-grants-2011_04 |
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