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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2378855Generated: October 31, 2026

Sodium Bicarbonate → Methyl 3-{2-[(acetyloxy)methyl]-4-[(tert-butoxycarbonyl)amino]-3-methylphenyl}-2-{[(benzyloxy)carbonyl]amino}prop-2-enoate

https://huagongshe.com/reaction/2378855

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium BicarbonateHCID 516892—
ReactantZ-Dehydro-Ala-OMeHCID 3525700—
Reactant3-(Tert-butoxycarbonylamino)-6-iodo-2-methylbenzyl acetateHCID 53414707—
Catalystpalladium(II) acetateHCID 167845—
CatalystTetrabutylammonium chloride hydrateHCID 16212273—
SolventTetrahydrofuranHCID 8028—
ProductMethyl 3-{2-[(acetyloxy)methyl]-4-[(tert-butoxycarbonyl)amino]-3-methylphenyl}-2-{[(benzyloxy)carbonyl]amino}prop-2-enoateHCID 5341513869%

Reaction Steps

Palladium (II) acetate (105 mg, 0.43 mmol) was added to a mixture of acetic acid 3-tert-butoxycarbonylamino-6-iodo-2-methyl-benzyl ester (2.89 g, 7.1 mmol), Z-dehydroalanine methyl ester (2.20 g, 9.4 mmol), tetrabutylammonium chloride hydrate (2.70 g, 9.7 mmol), and sodium bicarbonate (1.80 g, 21.4 mmol) in THF (100 mL). Reaction was heated at reflux for 3.75 hours. Mixture was cooled to room temperature then filtered through a plug of silica gel eluting 70% ethyl acetate-hexanes (500 mL). Filtrate was concentrated in vacuo. Silica gel chromatography afforded the title compound as a yellow solid in 69% yield. 1H NMR (300 MHz, CDCl3): δ=7.79 (d, J=8.4, 1H), 7.42 (s, 1H), 7.27 (m, 6H), 6.30 (s, 1H), 5.11 (s, 2H), 5.02 (s, 2H), 3.81 (s, 3H), 2.21 (s, 3H), 2.02 (s, 3H), 1.51 (s, 9H). MS m/e (M−H)−=511.0.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07470680B2
Source datasetuspto-grants-2008_12
ORD IDord-2074b3a8c8794930857248ab43e5014a
Source noteuspto-grants-2008_12