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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1521407Generated: October 30, 2026

Methanol → HCID 66937482, compound

https://huagongshe.com/reaction/1521407

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanolHCID 887—
ReactantPotassium peroxymonosulphateHCID 10313463—
ReactantPotassium hydroxy sulfiteHCID 23707502—
ReactantHCID 66937087HCID 66937087—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
ProductHCID 66937482HCID 6693748280%

Reaction Conditions

Temperature23 °C

Reaction Steps

To a mixture of 1-[1-(2-methoxy-ethoxymethyl)-6-methylsulfanyl-5-trifluoromethyl-1H-benzoimidazol-2-yl]-1H-pyrazole-4-carboxylic acid ethyl ester (Intermediate from EXAMPLE 71, product from Step B) (0.300 g, 0.654 mmol) and methanol (3.3 mL) was added a solution of OXONE®/potassium peroxymonosulfate (0.402 g, 0.654 mmol) in water (3.3 mL). The mixture was allowed to stir for 4 h at 23° C. EtOAc (40 mL) and water (20 mL) were added and the biphasic mixture was stirred. The layers were separated and the aqueous layer was further extracted with EtOAc (30 mL). The combined organic layers were washed with brine (15 mL), dried, filtered, and concentrated under reduced pressure. The residue was purified (FCC) (20-100% EtOAc/hexanes) to yield the titled compound (0.249 g, 80% yield) as a 10:9 mixture of regioisomers. MS (ESI/CI): mass calcd. for C19H21F3N4O5S, 474.1; m/z found, 475.1 [M+H]+. 1H NMR (400 MHz, CDCl3): 8.94 (d, J=0.6 Hz, 1H), 8.58 (s, 1H), 8.22 (s, 1H), 8.08 (s, 1H), 6.34-6.23 (m, 2H), 4.38 (q, J=7.1 Hz, 2H), 3.74-3.66 (m, 2H), 3.51-3.41 (m, 2H), 3.28 (s, 3H), 2.81 (s, 3H), 1.40 (t, J=7.1 Hz, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09073923B2
Source datasetuspto-grants-2015_07
ORD IDord-36ffe36b118047a6b3fda2c05cb0127b
Source noteuspto-grants-2015_07