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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 393537Generated: October 26, 2026

Hydrochloric Acid → 4-(1H-Benzoimidazol-2-YL)-1,4-diaza-bicyclo[3,2.2]nonane

https://huagongshe.com/reaction/393537

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
Reactant2-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-benzoimidazole-1-carboxylic acid tert-butyl esterHCID 69152029—
Product4-(1H-Benzoimidazol-2-YL)-1,4-diaza-bicyclo[3,2.2]nonaneHCID 2249578468%

Reaction Steps

1 N Hydrochloric acid (3 mL, in methanol) was added to of 2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-benzoimidazole-1-carboxylic acid tert-butyl ester (104 mg, 0.304 mmol). The mixture was stirred at RT for 18 h and concentrated. The residue was diluted with 1 N hydrochloric acid (3 mL, aq.) and extracted with ethyl acetate (3×). The aqueous layer was treated with 6 N sodium hydroxide (3 mL, aq.) and extracted with chloroform (6×). The combined organic layers were dried (Na2SO4), filtered and concentrated to afford 50 mg (68%) of the title compound: 1H NMR (CD3OD, 400 MHz) δ 7.19 (dd, 2H, J=5.8 Hz, 3.3 Hz), 6.95 (dd, 2H, J=5.8, 2.9 Hz), 4.98 (br s, 1H), 4.27-4.24 (m, 1H), 3.83 (t, 2H, J=5.8 Hz), 3.09-2.91 (m, 6H), 2.16-2.08 (m, 2H), 1.87-1.78 (m, 2H); MS (Cl) m/z 243.3 (M+1). The hydrochloride salt was prepared by diluting in ethyl acetate and adding a 2.5 N HCl solution in ethyl acetate: mp>300° C.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06809094B2
Source datasetuspto-grants-2004_10
ORD IDord-b4d04569fa6f46c491436ab7e5eecaf5
Source noteuspto-grants-2004_10