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
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium Carbonate | HCID 10340 | — |
| Reactant | 2-Ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | HCID 5233012 | — |
| Reactant | 1-(4-(6-(2-Amino-5-bromonicotinoyl)pyridin-2-yl)-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-one | HCID 24992834 | — |
| Catalyst | HCID 178418397 | HCID 178418397 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | 1-(4-(6-(2-Amino-5-vinylnicotinoyl)pyridin-2-yl)-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-one | HCID 57690736 | 21.5% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08741931B2 |
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| Source dataset | uspto-grants-2014_06 |
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| ORD ID | ord-09572afee1f64a46b7683120c893701a |
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| Source note | uspto-grants-2014_06 |
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