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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 722339Generated: October 25, 2026

Undec-4-ene → Ethyl 6-iodo-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylate

https://huagongshe.com/reaction/722339

Reaction equation

Participants

RoleNameHCIDCharge
ReactantUndec-4-eneHCID 136496—
ReactantEthyl (2E)-4,4,4-trifluoro-2-butenoateHCID 5371261—
Reactant2-Amino-5-iodobenzaldehydeHCID 14221030—
Solvent2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 81646—
ProductEthyl 6-iodo-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylateHCID 2188350850.3%

Reaction Conditions

Temperature60 °C

Reaction Steps

A mixture of 5-iodo-2-aminobenzaldehyde (24.0 g, 96.7 mmol), diazbicyclo[2.2.2]-undec-7-ene (32.2 g, 212.0 mmol), and ethyl 4,4,4-trifluorocrotonate (35.7 g, 212.0 mmol) in 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (48 mL) was heated at 60° C. for 8 hours. The solution was cooled to room temperature and the solution poured into ethyl acetate-hexanes (1:1, 500 mL). The solution was extracted with 2.5 N aqueous hydrochloric acid (2×200 mL), saturated aqueous ammonium chloride (2×200 mL), dried over sodium sulfate, filtered and concentrated in vacuo. The resulting dark yellow oil was dissolved in hexanes (100 mL) and fine yellow crystals formed upon standing. Vacuum filtration of this suspension yielded ethyl 6-iodo-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylate as fine yellow crystals (19.3 g, 50% yield): mp 137–138° C. 1H NMR (CDCl3, 300 MHz) 7.62 (s, 1H), 7.36–7.48 (m, 2H), 6.43 (d, J=8.2 Hz), 5.36 (brs, 1H), 5.11 (q, 1H, J=7.1 Hz), 4.25–4.35 (m, 2H), 1.34 (t, 3H, J=7.0 Hz). ESHRMS m/z 395.9716 (M−H, Calc'd 395.9708).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07138411B2
Source datasetuspto-grants-2006_11
ORD IDord-6cc513c4043f40f7895748ab1abdf331
Source noteuspto-grants-2006_11