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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2045499Generated: October 30, 2026

Water → HCID 67441461, compound

https://huagongshe.com/reaction/2045499

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantIsobutyraldehydeHCID 6561—
ReactantYtterbium(3+) trifluoromethanesulfonate--water (1/3/1)HCID 45075687—
ReactantHCID 67442568HCID 67442568—
SolventTetrahydrofuranHCID 8028—
ProductHCID 67441461HCID 67441461100.3%

Reaction Conditions

Temperature25 °C

Reaction Steps

To a stirred mixture solution of 3-[(3-bromo-benzylidene)-amino]-4-fluoro-benzoic acid methyl ester (51.7 g, 153.8 mmol) and ytterbium(III) triflate hydrate (14.3 g, 23.1 mmol) in dry tetrahydrofuran (100 mL) at 25° C. was added isobutyraldehyde (14 mL, 153.8 mmol) and water (2.8 mL, 153.8 mmol) dropwise. The reaction mixture was stirred at 25° C. for 16 h. Then the reaction mixture was concentrated in vacuo and the residue was extracted with ethyl acetate (2×200 mL), washed with brine, dried over anhydrous sodium sulfate and concentrated in vacuo to afford 2-(3-bromo-phenyl)-8-fluoro-4-hydroxy-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-5-carboxylic acid methyl ester (63.0 g, quant.) as a light yellow oil which was used for next step without further purification: LC/MS m/e calcd for C19H19BrFNO3 (M+H)+: 409.27, observed: 390.0 & 392.0.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08586747B2
Source datasetuspto-grants-2013_11
ORD IDord-f55de8237158411291e9723f2997ce0c
Source noteuspto-grants-2013_11