HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 407624Generated: October 27, 2026
Potassium Phosphate, Tribasic → (R)-2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-fluoro-6-(1-methyl-5-(5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydro-pyridin-3-yl)benzaldehyde
https://huagongshe.com/reaction/407624

Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium Phosphate, Tribasic | HCID 62657 | — |
| Reactant | Sodium Acetate | HCID 517045 | — |
| Reactant | 2-Bromo-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-fluorobenzaldehyde | HCID 86683911 | — |
| Reactant | 1-methyl-3-[[5-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one | HCID 86683919 | — |
| Catalyst | Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+) | HCID 178418228 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | (R)-2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-fluoro-6-(1-methyl-5-(5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydro-pyridin-3-yl)benzaldehyde | HCID 86683921 | 31% |
Reaction Steps
A 50-mL single-neck round-bottomed flask equipped with a magnetic stirrer and a reflux condenser was charged with (R)-1-methyl-3-(5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one (173 mg, 1.0 eq., 0.36 mmol), 2-bromo-6-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-4-fluorobenzaldehyde 101i (152 mg, 1.0 eq., 0.36 mmol), K3PO4 (152 mg, 2.0 eq., 0.72 mmol), PdCl2(dppf) (26 mg, 0.1 eq., 0.036 mmol), NaOAc (59 mg, 2.0 eq., 0.72 mmol), CH3CN (20 mL), and H2O (0.8 mL). After three cycles of vacuum/argon flush, the mixture was heated at 80° C. for 2 h. It was then cooled to room temperature and filtered. The filtrate was concentrated under reduced pressure and the resulting residue was purified by silica-gel column chromatography eluting with 40:1 DCM/EtOH to afford 107a as yellow solid (77 mg, 31%). MS: [M+H]+ 696.3.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08754077B2 |
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| Source dataset | uspto-grants-2014_06 |
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| ORD ID | ord-54e6c98772c94ee9a631fc3cb66ebe68 |
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| Source note | uspto-grants-2014_06 |
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