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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 716407Generated: October 30, 2026

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

https://huagongshe.com/reaction/716407

Reaction equation

Participants

RoleNameHCIDCharge
ReactantNitrogenHCID 947—
ReactantSodium BicarbonateHCID 516892—
Reactant4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)HCID 4339184—
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-(heptyloxy)phenyl)pyrimidin-2-yl)phenyl)propanoateHCID 8668967062%

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 (759 mg, 1.48 mmol), (4-(heptyloxy)phenyl)boronic acid (455 mg, 1.93 mmol) and sodium bicarbonate (311 mg, 3.70 mmol) in acetonitrile (5 ml), THF (5 ml), and water (4 ml) was degassed with N2 for 5 min. Pd(dppf)Cl2 (108 mg, 0.15 mmol) was added and the reaction was heated to 110° C. in the microwave for 50 min. The reaction was diluted with EA and water then filtered. The organic phase was dried over MgSO4, filtered, and concentrated. The crude product was purified by chromatography on silica gel (EA/hexanes) to afford 591 mg (62%) of (S)-tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-(5-(4-(heptyloxy)phenyl)pyrimidin-2-yl)phenyl)propanoate INT-8 as a yellow solid. LCMS-ESI (m/z) calculated for C38H45N3O5: 623.8; no m/z observed, tR=3.42 min (Method 8).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09187522B2
Source datasetuspto-grants-2015_11
ORD IDord-f5816f6522814fa899b9cf398f5aa49d
Source noteuspto-grants-2015_11