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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2239688Generated: October 31, 2026

2-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide → 2-tert-Butyl-4-{[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

https://huagongshe.com/reaction/2239688

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxideHCID 67242627—
Reactant1-(6-Methoxypyridazin-3-yl)piperidin-4-amine dihydrochlorideHCID 67244609—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
Product2-tert-Butyl-4-{[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxideHCID 1156188849.2%

Reaction Conditions

Temperature120 °C

Reaction Steps

2-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide (0.300 g, 1.00 mmol), 1-(6-methoxypyridazin-3-yl)piperidin-4-amine dihydrochloride (0.349 g, 1.24 mmol) and TEA (0.405 g, 4.00 mmol) was dissolved in dry DMF (10 ml) and heated in a microwave reactor at 120° C. for 30 mins. The reaction mixture was diluted with water (200 ml) and extracted with EtOAc (200 ml). The organic phase was dried over MgSO4, filtered and evaporated. The residue was purified by silica gel column chromatography using a 55:45 mixture of heptane and EtOAc as eluant, to give the title compound (0.232 g, 49%). 1H NMR (500 MHz, CDCl3): δ 7.54-7.49 (m, 2H), 7.46-7.41 (m, 3H), 6.92 (d, 1H), 6.79 (d, 1H), 5.2 (d, 1H), 4.00 (s, 3H), 3.93-3.87 (m, 2H), 3.17-3.08 (m, 1H), 2.53-2.45 (m, 2H), 1.77-1.71 (m, 2H), 1.72 (s, 9H), 1.44-1.35 (m, 2H); 13C NMR (125 MHz, CDCl3): δ 160.1, 159.6, 157.3, 133.8, 131.6, 129.9, 128.7, 125, 119.4, 119.1, 107, 61.6, 54.3, 50.1, 45.1, 31.6, 27.6; Mass Spectrum: M−H+ 472.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07723333B2
Source datasetuspto-grants-2010_05
ORD IDord-242de17a83f6485eb290c0c9f53370e3
Source noteuspto-grants-2010_05