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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1664819Generated: November 2, 2026

Water → benzyl (5S)-N,N-bis(tert-butoxycarbonyl)-5-(2,3-difluorophenyl)-6-nitro-D-norleucinate

https://huagongshe.com/reaction/1664819

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium BicarbonateHCID 516892—
Reactant(2,3-Difluorophenyl)boronic acidHCID 2734333—
Reactantbenzyl (2R,5E)-2-[bis(tert-butoxycarbonyl)amino]-6-nitrohex-5-enoateHCID 25034374—
CatalystBinap, (A+-)-HCID 634876—
Solvent1,4-DioxaneHCID 31275—
SolventSodium bicarbonate methylene chlorideHCID 23716255—
Productbenzyl (5S)-N,N-bis(tert-butoxycarbonyl)-5-(2,3-difluorophenyl)-6-nitro-D-norleucinateHCID 2503437587.4%

Reaction Steps

A solution of benzyl (2R,5E)-2-[bis(tert-butoxycarbonyl)amino]-6-nitrohex-5-enoate (34.0 g, 73.2 mmol), 2,3-difluorophenylboronic acid (28.9 g, 183.0 mmol) and water (4.62 mL, 256.2 mmol) in dioxane (240 mL) was degassed with argon for 15 min. To this solution was added sodium bicarbonate (3.08 g, 36.6 mmol), (S)-BINAP (1.28 g, 2.05 mmol) and acetylacetanotobis(ethylene)rhodium(I) (0.472 g, 1.83 mmol). The mixture was stirred at RT for 2 min then heated to 35° C. After 4 h, 255 mg of (S)-BINAP and 94 mg of acetylacetanotobis(ethylene)rhodium(I) were added. After an additional 2 h the reaction was diluted with DCM/NaHCO3, the layers separated and the aqueous phase was backwashed with another portion of DCM. The combined organics were dried over magnesium sulfate, filtered and concentrated to give a residue that was purified by silica gel chromatography (5%→60% ethyl acetate/hexanes) to give the title compound (37.0 g, 87%) contaminated with ˜5% 5R isomer. MS 379.1 (M+1−2Boc).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08039460B2
Source datasetuspto-grants-2011_10
ORD IDord-d921d822deea44baac757a1d75877cab
Source noteuspto-grants-2011_10