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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2045515Generated: November 1, 2026

Water → HCID 67440510, compound

https://huagongshe.com/reaction/2045515

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantIsobutyraldehydeHCID 6561—
ReactantBenzoic acid, 4-[(phenylmethylene)amino]-, ethyl esterHCID 96955—
ReactantYtterbium(3+) trifluoromethanesulfonate--water (1/3/1)HCID 45075687—
SolventTetrahydrofuranHCID 8028—
ProductHCID 67440510HCID 67440510101.4%

Reaction Conditions

Temperature25 °C

Reaction Steps

To a mixture of 4-(benzylidene-amino)-benzoic acid ethyl ester (5.1 g, 20.0 mmol) and ytterbium(III) triflate hydrate (1.3 g, 2.0 mmol) in dry tetrahydrofuran (20.0 mL) at 25° C. was added isobutyraldehyde (18.2 mL, 200 mmol) and water (0.36 mL, 20.0 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 4-hydroxy-3,3-dimethyl-2-phenyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester (6.6 g, quant.) as a light yellow oil which was used for next step without further purification: LC/MS m/e calcd for C20H23NO3 (M+H)+: 326.40, observed: 308.0.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08586747B2
Source datasetuspto-grants-2013_11
ORD IDord-a85329629c6a4735940e3c4d0cd8352c
Source noteuspto-grants-2013_11