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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1805516Generated: November 1, 2026

Methyl 4-methoxyacetoacetate → HCID 178496273, compound

https://huagongshe.com/reaction/1805516

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl 4-methoxyacetoacetateHCID 123500—
ReactantSodium AcetateHCID 517045—
ReactantHydrogen chloride-ethyl acetateHCID 21866389—
ReactantSodium NitriteHCID 23668193—
ReactantTert-butyl (3-bromo-2-fluorophenyl)carbamateHCID 66729642—
SolventEthanolHCID 702—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
ProductHCID 178496273HCID 17849627362%

Reaction Steps

To a solution of tert-butyl (3-bromo-2-fluorophenyl)carbamate (7.23 g, 24.9 mmol) in EtOAc (125 mL) was added 4 M HCl/EtOAc (62 mL) at 0° C. The mixture was stirred at room temperature for 12 h and concentrated in vacuo. The residue was diluted with 6 M HCl aqueous solution (62 mL). To the suspension was added a solution of NaNO2 (2.06 g, 29.9 mmol) in water (5 mL) at 0° C. To a suspension of methyl 4-methoxy-3-oxobutanoate (3.22 mL, 24.9 mmol) and NaOAc (92.9 g) in EtOH (84 mL) was added the above mixture at 0° C. The mixture was stirred at 0° C. for 20 min. The precipitates were collected by filtration, diluted with EtOAc, washed with NaHCO3 aqueous solution, dried over MgSO4, filtered and concentrated in vacuo to yield the title compound (5.36 g, 62% yield) as a brown solid: 1H NMR (DMSO-d6, 300 MHz): δ ppm 3.30 (3H, s), 3.75-3.94 (3H, m), 4.56-4.71 (2H, m), 7.15-7.34 (1H, m), 7.37-7.59 (1H, m), 7.63-7.80 (1H, m), 12.26 (1H, s).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08354411B2
Source datasetuspto-grants-2013_01
ORD IDord-95395d57953b47309d7632ca0426a506
Source noteuspto-grants-2013_01