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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1624824Generated: October 30, 2026

1,2-Diaminocyclohexane, trans- → 1-[4-(3-tert-Butyl-2-oxoimidazolidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

https://huagongshe.com/reaction/1624824

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,2-Diaminocyclohexane, trans-HCID 43806—
ReactantPotassium Phosphate, TribasicHCID 62657—
Reactant1-Tert-butylimidazolidin-2-oneHCID 2795231—
Reactant1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-oneHCID 59436214—
CatalystCopper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
SolventTolueneHCID 1140—
Product1-[4-(3-tert-Butyl-2-oxoimidazolidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-oneHCID 5807237339.4%

Reaction Conditions

Temperature80 °C

Reaction Steps

A suspension of 1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (488 mg, 1.0 mmol), 1-tert-butylimidazolidin-2-one (171 mg, 1.2 mmol), CuI (19 mg, 0.1 mmol), trans-1,2-diaminocyclohexane (0.024 mL, 0.2 mmol), and K3PO4 (425 mg, 2.0 mmol) in toluene (5 mL) was stirred at 80° C. for 24 h under N2 atmosphere. After cooling to room temperature, the reaction mixture was purified by silica gel column chromatography eluting with hexane/AcOEt (1/1), AcOEt only and then AcOEt/MeOH (10/1) and recrystallized from AcOEt to give the title compound (198 mg, 39% yield) as a white solid: mp 238-239° C.; 1H NMR (300 MHz, DMSO-d6): δ ppm 1.36 (9H, s), 3.29 (3H, s), 3.44-3.59 (2H, m), 3.64-3.76 (2H, m), 6.92-7.03 (2H, m), 7.23-7.51 (6H, m), 7.70 (1H, dd, J=14.1, 2.4 Hz), 7.78 (1H, d, J=1.9 Hz), 8.43 (1H, d, J=1.9 Hz). LC-MS (ESI) m/z 503 [M+H]+. Anal. Calcd for C27H27FN6O3: C, 64.53; H, 5.42; N, 16.72. Found: C, 64.31; H, 5.38; N, 16.58.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08778944B2
Source datasetuspto-grants-2014_07
ORD IDord-c1b29fa59c1e4d4ea717f4dcedff6f18
Source noteuspto-grants-2014_07