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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 518516Generated: October 30, 2026

Potassium Phosphate, Tribasic → US10023592, Example 321

https://huagongshe.com/reaction/518516

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium Phosphate, TribasicHCID 62657—
Reactant3-Bromo-2-(cyclopropylmethoxy)-5-methylsulfonylpyridineHCID 118022243—
Reactant2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1(2H)-oneHCID 123809499—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
Catalyst2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 11155794—
SolventWaterHCID 962—
Solvent1,4-DioxaneHCID 31275—
ProductUS10023592, Example 321HCID 11802201473%

Reaction Conditions

Temperature70 °C

Reaction Steps

A mixture of 3-bromo-2-(cyclopropylmethoxy)-5-methylsulfonylpyridine (67 mg, 0.22 mmol), 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-one (60 mg, 0.21 mmol), Pd2(dba)3 (6 mg), XPhos (7 mg), and K3PO4 (111 mg, 0.51 mmol) in dioxane (1.2 mL) and water (140 uL) was purged with nitrogen, capped, and heated to 70° C. for 2 h. After the mixture was filtered through a short bed of celite, the filtrate was concentrated in vacuo and purified by prep-HPLC to afford the title compound (58 mg, 73%) as a white solid. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.12-0.26 (m, 2H) 0.28-0.47 (m, 2H) 1.02-1.15 (m, 1H) 3.30-3.32 (m, 3H) 3.54-3.62 (m, 3H) 4.02-4.41 (m, 2H) 7.17-7.27 (m, 1H) 7.52-7.59 (m, 1H) 7.60-7.64 (m, 1H) 7.64-7.71 (m, 1H) 8.16-8.22 (m, 1H) 8.26-8.35 (m, 1H) 8.70-8.79 (m, 1H). LCMS (M+H)+=385.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09115114B2
Source datasetuspto-grants-2015_08
ORD IDord-9fdeec20c9864b3aab6ec8ef29ac94c8
Source noteuspto-grants-2015_08