HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2193764Generated: October 31, 2026
Hydrochloric Acid → Diethyl 2-(2,2,2-trifluoro-1-(phenylamino)ethyl)malonate
https://huagongshe.com/reaction/2193764
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Diethyl Malonate | HCID 7761 | — |
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | N-(1-ethoxy-2,2,2-trifluoroethyl)aniline | HCID 12990236 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Diethyl 2-(2,2,2-trifluoro-1-(phenylamino)ethyl)malonate | HCID 12990241 | 54.5% |
Reaction Steps
A solution of diethyl malonate (1.98 mL, 13.0 mmol) in anhydrous tetrahydrofuran (10 mL) was added dropwise, over 20 min, into a dispersion of sodium hydride (60% in oil, 0.52 g, 13.0 mmol) in dry tetrahydrofuran (30 mL) at 0° C., after which compound 325 (2.6 g, 11.9 mmol) was added and the mixture was stirred vigorously at reflux for 16 h. The reaction mixture was cooled, acidified to pH 3 using a 1N HCl solution. The aqueous layer was extracted twice with EtOAc. The extracts were combined, dried over sodium sulfate and the solvents were removed under reduced pressure. The residue was purified by column chromatography on silica gel (eluent dichloromethane-hexane, 0:100 to 60:40) to afford title compound 326 (2.16 g, 6.48 mmol, 54% yield) as a colorless oil. 1H NMR (400 MHz, CDCl3) δ ppm: 7.21-7.16 (m, 2H), 6.81-6.76 (m, 1H), 6.75-6.71 (m, 2H), 5.06 (d, J=10.4 Hz, 1H), 4.83-4.73 (m, 1H), 4.25 (q, J=7.2 Hz, 2H), 4.18-4.05 (m, 2H), 3.85 (d, J=4.4 Hz, 1H), 1.28 (t, J=7.2 Hz, 3H), 1.13 (t, J=7.2 Hz, 3H). LRMS (M+1) 334.1 (100%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08329726B2 |
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| Source dataset | uspto-grants-2012_12 |
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| ORD ID | ord-7b4d06624d584ad2a05382d58eb4e897 |
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| Source note | uspto-grants-2012_12 |
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