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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1929368Generated: October 31, 2026

2-Fluoro-N-methoxy-N-methylnicotinamide → Tert-butyl 4-(3-(2-fluoronicotinoyl)isoquinolin-1-yl)-1,4-diazepane-1-carboxylate

https://huagongshe.com/reaction/1929368

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Fluoro-N-methoxy-N-methylnicotinamideHCID 53417067—
ReactantTert-butyl 4-(3-bromoisoquinolin-1-yl)-1,4-diazepane-1-carboxylateHCID 57690659—
ReactantButyllithiumHCID 178418339—
SolventTetrahydrofuranHCID 8028—
ProductTert-butyl 4-(3-(2-fluoronicotinoyl)isoquinolin-1-yl)-1,4-diazepane-1-carboxylateHCID 5769063246%

Reaction Conditions

Temperature-78 °C

Reaction Steps

A 2.5M n-butyl lithium in tetrahydrofuran solution (0.16 ml, 0.40 mmol) was added dropwise to a solution of tert-butyl 4-(3-bromoisoquinolin-1-yl)-1,4-diazepane-1-carboxylate (155 mg, 0.38 mmol) in tetrahydrofuran (8 ml), cooled to −78° C. The reaction mixture was stirred at that temperature for 10 minutes. A solution of 2-fluoro-N-methoxy-N-methylnicotinamide (70 mg, 0.38 mmol) in tetrahydrofuran (3 ml) was added dropwise. The reaction mixture was allowed to warm up to room temperature and was stirred for 2 hours. The reaction was quenched with a saturated aqueous solution of ammonium chloride and extracted into ethyl acetate. The organic phase was dried over magnesium sulfate, filtered and concentrated in vacuo. The residue was purified on silica gel by flash column chromatography to afford the title compound as a yellow solid (78 mg, 46% yield).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08188071B2
Source datasetuspto-grants-2012_05
ORD IDord-d17548e6cd5c45989c7022c4e895642b
Source noteuspto-grants-2012_05