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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1172519Generated: November 2, 2026

Water → 4-Chloro-6-methyl-2-[4-(3-nitro-benzyl)-piperazin-1-yl]-10,10-dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester

https://huagongshe.com/reaction/1172519

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
Reactant3-NitrobenzaldehydeHCID 7449—
ReactantSodium cyanoborohydrideHCID 5003444—
Reactant4-Chloro-2-(4-cyclopropyl-piperazin-1-yl)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl esterHCID 131728488—
CatalystTitanium isopropoxideHCID 11026—
SolventMethanolHCID 887—
Product4-Chloro-6-methyl-2-[4-(3-nitro-benzyl)-piperazin-1-yl]-10,10-dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl esterHCID 131728489—

Reaction Steps

m-Nitrobenzaldehyde (0.456 g, 3.02 mmol) and titanium isopropoxide (1.23 mL, 4.12 mmol) were added to a solution of Example 125k (1.2 g, 2.75 mmol) in methanol (75 mL) and refluxed for 1.5 h. Sodium cyanoborohydride (0.188 g, 2.75 mmol) was then added to the reaction mixture at 30° C. and refluxed for 3 h. It was cooled, treated with water and filtered. The filtrate was extracted with chloroform. The organic layer was washed with water, brine, dried, concentrated and purified using flash chromatography (silica gel, 5% methanol/chloroform) to obtain the title compound. Yield: 0.74 g (48%); 1H NMR (CDCl3): δ 2.6 (t, 4H, 2CH2), 2.63 (s, 3H, CH3), 3.22 (t, 4H, 2CH2), 3.63 (s, 2H, CH2), 3.9 (s, 3H, OCH3), 5.2 (s, 2H, CH2), 6.73 (s, 1H, Ar), 6.9 (s, 1H, Ar), 7.5 (t, 1H, Ar), 7.7 (d, 1H, Ar), 8.1 (s, 1H, Ar), 8.15 (d, 1H, Ar), 8.25 (s, 1H, Ar), 8.45 (s, 1H, Ar); MS: m/e (ES+) 573 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07834001B2
Source datasetuspto-grants-2010_11
ORD IDord-4b605d3a6a5b44f988274a4da9577181
Source noteuspto-grants-2010_11