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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1487759Generated: November 1, 2026

Hydrochloric Acid → (2-(4-Chlorophenyl)-4-methyloxazol-5-yl)(2-((pyridin-3-yloxy)methyl)piperazin-1-yl)methanone trihydrochloride

https://huagongshe.com/reaction/1487759

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantDimethylformamideHCID 6228—
ReactantTriethylamineHCID 8471—
ReactantSodium HydroxideHCID 14798—
Reactant1,4-DioxaneHCID 31275—
ReactantO-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 2733207—
Reactant2-(4-Chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acidHCID 21666553—
SolventMethanolHCID 887—
SolventWaterHCID 962—
Product(2-(4-Chlorophenyl)-4-methyloxazol-5-yl)(2-((pyridin-3-yloxy)methyl)piperazin-1-yl)methanone trihydrochlorideHCID 6679708524%

Reaction Steps

TBTU (141 mg, 0.438 mmol) was added to a solution of Intermediate C (86 mg, 0.29 mmol), 2-(4-chlorophenyl)-4-methyloxazole-5-carboxylic acid (76 mg, 0.32 mmol), and triethylamine (0.123 mL, 0.876 mmol) in DMF (4 mL). After stirring overnight, 1N NaOH (3 mL) was added, and the reaction mixture was stirred for 30 min. Water (15 mL) was added, and the reaction mixture was extracted with EtOAc (3×40 mL). The EtOAc extracts were combined, washed with aqueous NaOH (2×10 mL) and brine (10 mL), dried over Na2SO4, filtered, and concentrated under reduced pressure. The material was purified by HPLC (5 to 95% MeCN/0.1% TFA in H2O/0.1% TFA gradient), yielding a yellow oil. The material was dissolved in MeOH (1 mL) and treated with 4 M HCl in 1,4-dioxane (5 mL, 20 mmol). After stirring for 5 h, the reaction mixture was concentrated under reduced pressure and purified by HPLC (5 to 95% MeCN/0.1% TFA in H2O/0.1% TFA gradient) to give 37.2 mg (24%) of the title compound as a white solid. LC-MS: RT=4.74 min, [M+H]+=413.6.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09428522B2
Source datasetuspto-grants-2016_08
ORD IDord-1f984ba65a894abd9b15b791fa38e596
Source noteuspto-grants-2016_08