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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1661980Generated: October 25, 2026

Nitrogen → 4-(5-(2-Fluoro-4-nitrophenoxy)-2-(tetrahydro-2H-pyran-2-yl)-2H-indazol-6-yl)-2,2-dimethylmorpholine

https://huagongshe.com/reaction/1661980

Reaction equation

Participants

RoleNameHCIDCharge
ReactantNitrogenHCID 947—
Reactant2-Methyl-2-butanolHCID 6405—
ReactantPotassium HydroxideHCID 14797—
Reactant2-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenylHCID 2734937—
Reactant2,2-Dimethylmorpholine hydrochlorideHCID 22036888—
Reactant6-Bromo-5-(2-fluoro-4-nitrophenoxy)-2-(tetrahydro-2H-pyran-2-yl)-2H-indazoleHCID 66767184—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
Product4-(5-(2-Fluoro-4-nitrophenoxy)-2-(tetrahydro-2H-pyran-2-yl)-2H-indazol-6-yl)-2,2-dimethylmorpholineHCID 6676683525.6%

Reaction Conditions

Temperature80 °C

Reaction Steps

6-Bromo-5-(2-fluoro-4-nitrophenoxy)-2-(tetrahydro-2H-pyran-2-yl)-2H-indazole (1.5 g, 3.4 mmol) is added to a 50 mL Genevac Carousel® tube and is suspended into the amylene hydrate (10 mL, 91.4 mmol) and N2 is bubbled in suspension. To the mixture is added 2-(di-tert-butylphosphino)-2′-methylbiphenyl (97.7 mg, 309 μmol), Pd2(dba)3 (94.5 mg, 103 μmol) and DI water (0.3 mL), and N2 bubbling is continued for 10 min. To this mixture is added 2,2-dimethylmorpholine hydrochloride (1.04 g, 6.9 mmol) and a solution of KOH (617 mg, 11.0 mmol) dissolved in 0.3 mL of distilled water. The reaction mixture is heated at 80° C. for 2 hours and then cooled to RT. The mixture is then poured into EtOAc (300 mL), washed with distilled water (1×100 mL) and then saturated aqueous sodium chloride (100 mL). The combined aqueous layers are extracted with EtOAc (100 mL). The combined organic solution is dried with Na2SO4, filtered, and concentrated to dryness to give a gold solid. The solid is purified on a silica gel column eluting with hexanes (A) and EtOAc (B), gradient from 95%(A):5%(B) to 75%(A):25%(B) over 70 min to give a light yellow solid as the desired product (410 mg, 25% yield). MS (m/z): 470.8 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08030302B2
Source datasetuspto-grants-2011_10
ORD IDord-bffbc704516142a4bfec65dd027b0e4e
Source noteuspto-grants-2011_10