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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 401474Generated: October 29, 2026

Sodium Carbonate → 1-(4-(6-(2-Amino-5-vinylnicotinoyl)pyridin-2-yl)-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-one

https://huagongshe.com/reaction/401474

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
Reactant2-Ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 5233012—
Reactant1-(4-(6-(2-Amino-5-bromonicotinoyl)pyridin-2-yl)-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-oneHCID 24992834—
CatalystHCID 178418397HCID 178418397—
SolventEthanolHCID 702—
SolventTolueneHCID 1140—
Product1-(4-(6-(2-Amino-5-vinylnicotinoyl)pyridin-2-yl)-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-oneHCID 5769073621.5%

Reaction Steps

A mixture of 1-(4-(6-(2-amino-5-bromonicotinoyl)pyridin-2-yl)-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-one (355 mg, 0.73 mmol), vinyl boronic acid pinacol ester (0.15 ml, 0.88 mmol), tetrakis(triphenylphosphine)palladium(0) (42 mg) and a 2M aqueous solution of sodium carbonate (2 ml) in ethanol (1 ml) and toluene (3 ml) was heated under microwave irradiation at 110° C. for 5 hours. The reaction mixture was concentrated in vacuo. The residue was slurried in ethyl acetate, filtered to remove the inorganic salts and concentrated to dryness in vacuo. The residue was purified by reverse phase preparative HPLC [Waters Sunfire C18, 10 μM, 100 Å column, gradient 10%-95% B (solvent A: 0.05% TFA in water; solvent B: CH3CN) over 16 minutes at 25 mL/min]. The fractions were collected, passed through a sodium bicarbonate cartridge and freeze-dried to give the title compound as an orange solid (68 mg, 21% yield).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08741931B2
Source datasetuspto-grants-2014_06
ORD IDord-09572afee1f64a46b7683120c893701a
Source noteuspto-grants-2014_06