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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 883067Generated: October 31, 2026

tert-Butyl Dimethylphosphonoacetate → 3-[3-(1-Ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-4-(2,2,2-trifluoro-ethoxy)-phenyl]-acrylic acid tert-butyl ester

https://huagongshe.com/reaction/883067

Reaction equation

Participants

RoleNameHCIDCharge
Reactanttert-Butyl DimethylphosphonoacetateHCID 4564495—
Reactant3-(1-Ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-4-(2,2,2-trifluoro-ethoxy)-benzaldehydeHCID 57986297—
ReactantButyllithiumHCID 178418339—
SolventTetrahydrofuranHCID 8028—
Solventtetrahydrofuran 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinoneHCID 22565281—
Product3-[3-(1-Ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-4-(2,2,2-trifluoro-ethoxy)-phenyl]-acrylic acid tert-butyl esterHCID 6866636796%

Reaction Conditions

Temperature-78 °C

Reaction Steps

A flask charged with 6.43 mL of dimethyl t-butoxycarbonyl-methylphosphonate (32 mmol) in 50 mL of dry THF/DMPU (10:1) was cooled to −78° C. where 12.8 mL of n-butyl lithium (2.5M hexane solution, 32 mmol) was added slowly via syringe. The reaction mixture was stirred at −78° C. for 10 minutes and then a solution of 4.4 g of Compound 1D (10.6 mmol) in 30 mL of dry THF was added. After warming to room temperature and an additional 20 minutes of stirring, the reaction was quenched with 30 mL of water and then partitioned with 30 mL of saturated ammonium chloride and 150 mL of ethyl acetate. The water layer was further extracted with ethyl acetate (2×75 mL) and the combined organic layers were then washed with brine (50 mL), dried over magnesium sulfate, filtered and excess solvent was removed on the rotary evaporator. The crude product was purified by flash chromatography (EtOAc/Hexanes; gradient 15% to 30%) to give 3.6 g (96%) of product Compound 1E as a white solid. MS (electrospray): mass calculated for C29H34F3NO4, 517.24; m/z found 518.4, [M+H]+. 1HNMR (300 MHz, CDCl3): 7.56 (d, J=16.5 Hz, 1H), 7.52 (dd, J=2.0, 8.5 Hz, 1H), 7.38 (d, J=2.01 Hz, 1H), 7.16 (s, 1H), 6.98 (d, J=8.5 Hz, 1H), 6.82 (s, 1H), 6.30 (d, J=16.5 Hz, 1H), 4.31 (q, J=8.0 Hz, 2H), 3.99 (q, J=5.1 Hz, 2H), 2.51 (s, 2H), 2.13 (s, 3H), 1.52 (s, 9H), 1.32 (s, 6H), 1.21 (t, J=7.07 Hz, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08236819B2
Source datasetuspto-grants-2012_08
ORD IDord-2ac116600d984472ab71bd336fa1de80
Source noteuspto-grants-2012_08