HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 398575Erstellt: 24. Oktober 2026
3-(Trifluoromethyl)benzeneacetic acid → 3-Cyclopentyl-2-(3-trifluoromethyl-phenyl)-propionic acid
https://huagongshe.com/de/reaction/398575
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
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| Edukt | 3-(Trifluoromethyl)benzeneacetic acid | HCID 67695 | — |
| Edukt | Lithium diisopropylamide | HCID 2724682 | — |
| Edukt | (Iodomethyl)cyclopentane | HCID 2762531 | — |
| Lösungsmittel | 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl- | HCID 81646 | — |
| Lösungsmittel | tetrahydrofuran 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone | HCID 22565281 | — |
| Produkt | 3-Cyclopentyl-2-(3-trifluoromethyl-phenyl)-propionic acid | HCID 22315329 | 81% |
Reaktionsschritte
A solution of freshly prepared lithium diisopropylamide (35.32 mL of a 0.31M stock solution, 10.9 mmol) cooled to −78° C. was treated with (3-trifluoromethyl-phenyl)-acetic acid (1.02 g, 5.0 mmol) in tetrahydrofuran/1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (12.4 mL, 3:1). The resulting solution was stirred at −78° C. for 3 h. Iodomethylcyclopentane (1.16 g, 5.52 mmol) was then added in 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (1.16 mL). The reaction mixture was stirred at −78° C. for 4 h. The reaction was then warmed to 25° C. and was stirred at 25° C. for 48 h. This solution was then quenched by the slow addition of the reaction mixture to a 2N aqueous hydrochloric acid solution (50 mL). The product was extracted into ethyl acetate (3×100 mL) and diethyl ether (1×50 mL). The combined organic layers were washed with a saturated aqueous lithium chloride solution (2×100 mL) and a saturated aqueous sodium chloride solution (1×150 mL), dried over magnesium sulfate and sodium sulfate, filtered, and concentrated in vacuo. Flash chromatography (Merck Silica gel 60, 230-400 mesh, 50/50 hexanes/ethyl acetate with acetic acid) afforded 3-cyclopentyl-2-(3-trifluoromethyl-phenyl)-propionic acid (1.16 g, 80.5%) as an off-white solid: mp 64-65° C.; EI-HRMS m/e calcd for C15H17F3O2 (M+Na+) 309.1079, found 309.1084.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US06610846B1 |
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| Quelldatensatz | uspto-grants-2003_08 |
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| ORD ID | ord-0a71d3bd965743a3af144f82a1c6c619 |
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| Quellennotiz | uspto-grants-2003_08 |
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