HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 509405Generated: October 30, 2026
Potassium Phosphate, Tribasic → Ethyl 5-(benzyloxy)-6-((tert-butoxycarbonyl)amino)nicotinate
https://huagongshe.com/reaction/509405
Participants
| Role | Name | HCID | Charge |
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| Reactant | Potassium Phosphate, Tribasic | HCID 62657 | — |
| Reactant | tert-Butyl carbamate | HCID 77922 | — |
| Reactant | 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl | HCID 11155794 | — |
| Reactant | Ethyl 5-(benzyloxy)-6-chloronicotinate | HCID 86687989 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Ethyl 5-(benzyloxy)-6-((tert-butoxycarbonyl)amino)nicotinate | HCID 71144248 | — |
Reaction Steps
To a stirred mixture of ethyl 5-(benzyloxy)-6-chloronicotinate (2.1 g, 0.00719 mol) in THF (21 mL) in a 250 mL sealed tube, were added Pd2(dba)3 (395 mg, 0.00043 mol, Aldrich), NH2Boc (1.68 g, 0.0143 mol, Aldrich), X-phos (500 mg, 0.0010 mol, Aldrich) and K3PO4 (4.5 g, 0.0010 mol). The vessel was purged with argon gas for 10 min. The reaction mixture was then stirred for 12 h at 80° C. After completion of the reaction (monitored by TLC, 30% EtOAc in hexane), the reaction mixture was quenched with water (50 mL) and extracted with EtOAc (50 mL×3). The combined organic layers were dried over anhydrous sodium sulfate, and purified by column chromatography, silica gel (60-120 mesh) using 23-30% EtOAc in petroleum ether as the eluent to give the title compound. 1H NMR (400 MHz, DMSO-d6) δ: 9.22 (s, 1H), 8.46 (d, J=1.8 Hz, 1H), 7.81 (d, J=1.8 Hz, 1H), 7.53 (d, J=6.6 Hz, 2H) 7.42-7.33 (m, 3H), 5.22 (s, 2H), 4.36 (q, J=6.9 Hz, 2H), 1.44 (s, 9H), 1.36 (t, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09096527B2 |
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| Source dataset | uspto-grants-2015_08 |
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| ORD ID | ord-cbfd72098a854e9281ad01dc0175b007 |
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| Source note | uspto-grants-2015_08 |
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