Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | 1,4-Dioxane | HCID 31275 | — |
| Reactant | 1-Methyl-3-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one | HCID 59216466 | — |
| Reactant | HCID 59548534 | HCID 59548534 | — |
| Catalyst | 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl | HCID 11155794 | — |
| Solvent | Water | HCID 962 | — |
| Product | HCID 59548547 | HCID 59548547 | 119% |
Reaction Steps
A mixture of 1-Methyl-3-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one (273 mg, 0.62 mmol, 1.2 eq), 2-Bromo-6-(8-cyclopropyl-5-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-benzaldehyde (200 mg, 0.52 mmol, 1 eq), X-Phos (6 mg, 0.012 mmol, 0.02 eq) Pd(dba)2 (11 mg, 0.019 mmol, 0.03 eq), Cesium carbonate (403 mg, 1.24 mmol, 2 eq) in 7 mL of a 6:1 mixture of dioxane:water was heated to 100 C for 14 hours under argon with stirring. The reaction was cooled, filtered through a sintered glass funnel, concentrated and directly loaded on a silica gel column, eluting with a gradient of 20 to 40% ethyl acetate in hexanes, followed by a gradient of 5 to 10% methanol in CH2Cl2 to give a solid, 383 mg of 2-(8-Cyclopropyl-5-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-6-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-benzaldehyde, 87%.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08318719B2 |
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| Source dataset | uspto-grants-2012_11 |
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| ORD ID | ord-ca2572cde63e462f92b7fbb306c7e01b |
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| Source note | uspto-grants-2012_11 |
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