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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1891378Generated: November 1, 2026

Tert-butyl acetoacetate → HCID 86643503, compound

https://huagongshe.com/reaction/1891378

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTert-butyl acetoacetateHCID 15538—
Reactant2-Chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenylamineHCID 23120301—
SolventTolueneHCID 1140—
ProductHCID 86643503HCID 8664350379.2%

Reaction Steps

To 2-chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenylamine (1.0 g, 3 mmol, step 4B) in dry toluene (60 mL) was added tert-butyl acetoacetate (0.75 mL, 4.5 mmol) and 4-dimethyl-aminopyridine (0.37 g, 3 mmol). The mixture was refluxed under N2 for 16 hrs. After the removal of toluene, the reaction residue was repartitioned with ethyl acetate (100 mL) and water (50 mL). The organic layer was washed with sat. NH4Cl (2×50 mL) and brine (2×50 mL) and was dried over MgSO4. Concentration and purification by silica gel column chromatography eluting with hexane/ethyl acetate (3/1 to 1/1) yielded N-[2-chloro-5-(2,3,4,5-tetrahydro-benzo[b]azepine-1-sulfonyl)-phenyl]-3-oxo-butyramide as yellowish solid (1.0 g). MS: 421.0 (M+H)+; tR=2.74 min (method 1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08507536B2
Source datasetuspto-grants-2013_08
ORD IDord-761a1d6d680f422cb2db7baf74a2ac95
Source noteuspto-grants-2013_08