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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 537556Generated: October 30, 2026

Water → HCID 68186192, compound

https://huagongshe.com/reaction/537556

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTetrahydrofuranHCID 8028—
ReactantSodium HydroxideHCID 14798—
ReactantHCID 68157872HCID 68157872—
SolventMethanolHCID 887—
SolventTolueneHCID 1140—
SolventDichloromethaneHCID 6344—
ProductHCID 68186192HCID 68186192101.2%

Reaction Steps

To a flask containing ethyl 3-(4-((3,5-dimethyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenoxy)(3,3-dimethylcyclobutyl)methyl)benzamido)propanoate (100 mg, 0.180 mmol) was added water (0.437 mL), tetrahydrofuran (0.437 mL), and methanol (0.437 mL). Sodium hydroxide (36.1 mg, 0.880 mmol) was then added. The suspension was stirred at room temperature for 18 hours. The reaction was quenched with 1 N hydrochloric acid to pH 3 and extracted three times with ethyl acetate. The combined organic layers were dried over sodium sulfate, filtered, and concentrated to give 108 mg of crude material. The crude material was azeotrophed three times with toluene and three times with methylene chloride and then dried in vacuo for 18 h to provide (+/−)-3-(4-((3,5-dimethyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenoxy)(3,3-dimethylcyclobutyl)methyl)benzamido)propanoic acid (99.0 mg, 100%) as a solid. 1H NMR (400 MHz, CDCl3) δ 7.88 (s, 1H), 7.71 (d, J=8.2 Hz, 2H), 7.65 (s, 1H), 7.36 (d, J=8.4 Hz, 2H), 6.76 (t, J=6.2 Hz, 1H), 6.56 (s, 2H), 5.01 (d, J=7.0 Hz, 1H), 3.72 (q, J=5.9 Hz, 2H), 2.74-2.59 (m, 3H), 1.88 (s, 6H), 1.87-1.68 (m, 3H), 1.68-1.58 (m, 1H), 1.13 (s, 3H), 1.10 (s, 3H). MS (M+1): 544.3.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08859591B2
Source datasetuspto-grants-2014_10
ORD IDord-56befdf316714f4d993039c136883c1d
Source noteuspto-grants-2014_10