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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1623005Generated: October 29, 2026

Nitrogen → (S)-tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-(5-(4-(tert-butyl)phenyl)pyrimidin-2-yl)phenyl)propanoate

https://huagongshe.com/reaction/1623005

Reaction equation

Participants

RoleNameHCIDCharge
ReactantNitrogenHCID 947—
ReactantSodium BicarbonateHCID 516892—
Reactant4-tert-Butylphenylboronic acidHCID 2734320—
Reactant(S)-tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-(5-bromopyrimidin-2-yl)phenyl)propanoateHCID 86689671—
CatalystBis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
SolventWaterHCID 962—
SolventAcetonitrileHCID 6342—
SolventTetrahydrofuranHCID 8028—
SolventEthyl AcetateHCID 8857—
Product(S)-tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-(5-(4-(tert-butyl)phenyl)pyrimidin-2-yl)phenyl)propanoateHCID 8668967370%

Reaction Conditions

Temperature110 °C

Reaction Steps

Prepared using General Procedure 10: A stirred solution of (S)-tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-(5-bromopyrimidin-2-yl)phenyl)propanoate INT-7 (0.96 g, 1.86 mmol), (4-(tert-butyl)phenyl)boronic acid (0.43 g, 2.42 mmol) and sodium bicarbonate (0.39 g, 4.66 mmol) in acetonitrile (5 ml), THF (5 ml) and water (5 ml) was degassed with N2 for 5 min. Pd(dppf)Cl2 (0.136 g, 0.186 mmol) was added and the reaction was heated to 110° C. in the microwave for 45 min. The reaction was diluted with EA (50 mL) and filtered over celite. The organic phase was washed with water (100 mL) and concentrated. The crude product was purified by chromatography on silica gel (EA/isohexanes) to afford 757 mg (70%) of (S)-tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-(5-(4-(tert-butyl)phenyl)pyrimidin-2-yl)phenyl)propanoate INT-10 as a white powder. LCMS-ESI (m/z) calculated for C35H39N3O4: 565.3; no m/z observed, tR=3.39 min (Method 8).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08778923B2
Source datasetuspto-grants-2014_07
ORD IDord-118a1de544ca4c6396c87bd3d8b7acd8
Source noteuspto-grants-2014_07