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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 453015Generated: October 27, 2026

Water → 5-(Di-tert-butoxycarbonylamino-methyl)-2-nitro-benzoic acid methyl ester

https://huagongshe.com/reaction/453015

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantCesium carbonateHCID 10796—
ReactantDi-tert-butyl IminodicarboxylateHCID 279800—
ReactantMethyl 5-(bromomethyl)-2-nitrobenzoateHCID 13399988—
CatalystLithium iodideHCID 66321—
SolventMethyl Ethyl KetoneHCID 6569—
SolventEthyl AcetateHCID 8857—
SolventSodium chloride; waterHCID 57417360—
Product5-(Di-tert-butoxycarbonylamino-methyl)-2-nitro-benzoic acid methyl esterHCID 6872978298.2%

Reaction Conditions

Temperature100 °C

Reaction Steps

A stirred mixture of 5-bromomethyl-2-nitro-benzoic acid methyl ester (50.5 g, 184 mmol), di-tert-butyl iminodicarboxylate (40.15 g, 185 mmol), cesium carbonate (123.1 g, 377.7 mmol), and lithium iodide (1.23 g, 9.21 mmol) in 2-butanone (556 mL) was heated to reflux in a 100° C. oil bath for 12 hours while stirred with a mechanical stirrer. The mixture was allowed to cool to room temperature. To the mixture, was added brine (300 mL), water (300 mL), and ethyl acetate (750 mL), and the mixture was stirred for 10 minutes. The suspension was filtered through a pad of Celite. The two layers were separated, and the organic layer was evaporated to a less volume. The aqueous layer was extracted with ethyl acetate (2×150 mL). The combined organic layers were washed with brine (500 mL), dried over magnesium sulfate while de-colored at the same time by charcoal at room temp with stirring for 30 minutes. The black mixture was filtered through a pad of Celite. The filtrate was evaporated to give 5-(di-tert-butoxycarbonylamino-methyl)-2-nitro-benzoic acid methyl ester as a brown oil (74.18 g, 98% yield). The product was used in the next step without further purification.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08492395B2
Source datasetuspto-grants-2013_07
ORD IDord-d9676e28c1ff485784b6e2d8d8527648
Source noteuspto-grants-2013_07