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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2239675Generated: October 30, 2026

Resorcinol → HCID 11647656, compound

https://huagongshe.com/reaction/2239675

Reaction equation

Participants

RoleNameHCIDCharge
ReactantResorcinolHCID 5054—
ReactantPotassium CarbonateHCID 11430—
Reactant3-[(2-Tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonateHCID 86625867—
SolventAcetonitrileHCID 6342—
ProductHCID 11647656HCID 1164765641%

Reaction Conditions

Temperature120 °C

Reaction Steps

A mixture of 3-[(2-tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonate (0.045 g, 0.091 mmol), resorcinol (0.020 g, 0.183 mmol) and K2CO3 (0.063 g, 0.457 mmol) in MeCN (2 ml) was heated in a microwave reactor at 120° C. for 10 mins. The reaction mixture was evaporated and the residue was purified by silica gel column chromatography (Horizons Biotage) using 0-50% EtOAc in DCM as eluent to give the title compound (0.016 g, 41%) as a solid. 1H NMR (500 MHz CDCl3): δ 7.54-7.48 (m, 2H), 7.46-7.41 (m, 3H), 7.13 (t, 1H), 6.46-6.41 (m, 2H), 6.39-6.36 (m, 1H), 5.75 (t, 1H), 5.14 (s, 1H), 3.86 (t, 2H), 3.11-3.04 (m, 2H), 1.86-1.78 (m, 2H), 1.75 (s, 9H); 13C NMR (125 MHz CDCl3): 159.9, 157.1, 135.4, 131.8, 130.4, 129.8, 128.8, 125.3, 108.5, 107.1, 106.9, 102.3, 66.1, 61.8, 42.5, 28.9, 27.8; Mass Spectrum: M+H+ 431.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07723333B2
Source datasetuspto-grants-2010_05
ORD IDord-f7e5ac8a978e4e929fe56710b8d6889f
Source noteuspto-grants-2010_05