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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1433208Generated: November 2, 2026

2-Methylbenzenesulfonic acid hydrate → HCID 178468783, compound

https://huagongshe.com/reaction/1433208

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Methylbenzenesulfonic acid hydrateHCID 12496995—
ReactantHCID 178434810HCID 178434810—
SolventTetrahydrofuranHCID 8028—
ProductHCID 178468783HCID 17846878389%

Reaction Conditions

Temperature80 °C

Reaction Steps

A mixture of 5-{2-[2-(tert-butyl-dimethyl-silanyloxy)-3-methyl-oxiranyl]-phenyl}-2-(4-trifluoromethyl-phenoxymethyl)-1H-benzoimidazole (0.040 g, 0.0721 mmol) and toluenesulfonic acid monohydrate (0.016 g, 0.0865 mmol) in THF (2 mL) was heated to 80° C. for 4 hours. The reaction mixture was then concentrated, and the residue was purified by chromatography (silica, hexanes: EtOAc, 1:2) to afford the title compound as a brown oil (0.028 g, 89%). 1H NMR (400 MHz, CD3OD) δ (ppm): 7.66-7.56 (m, 4H), 7.53-7.45 (m, 4H), 7.26-7.22 (m, 3H), 5.43 (s, 2H), 4.12-4.03 (m, 1H), 1.03 (d, 3H, J=7.2 Hz). Mass Spectrum (LCMS, ESI pos.) Calcd. For C26H23F3N3O3: 482.4 (M+MeCN+H), Found 482.3.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07612211B2
Source datasetuspto-grants-2009_11
ORD IDord-1bf3c06808ec48adbf9c460a926a8f19
Source noteuspto-grants-2009_11