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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 911517Generated: October 26, 2026

Piperidine → 3-tert-butoxycarbonyl-7-chloro-6-(3-fluoro-4-piperidin-1-yl-benzylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

https://huagongshe.com/reaction/911517

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPiperidineHCID 8082—
Reactant18-Crown-6HCID 28557—
ReactantSodium t-butoxideHCID 23676156—
Reactant6-(4-bromo-3-fluorobenzylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 57656268—
CatalystBinap, (A+-)-HCID 634876—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventTolueneHCID 1140—
Product3-tert-butoxycarbonyl-7-chloro-6-(3-fluoro-4-piperidin-1-yl-benzylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 6670704553%

Reaction Steps

In a sealed tube, add tris(dibenzylideneacetone)dipalladium (13 mg, 0.014 mmol) and 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl (19 mg, 0.029 mmol) to a mixture of 6-(4-bromo-3-fluorobenzylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine (957 mg, 1.91 mmol), sodium tert-butoxide (367 mg, 3.83 mmol), 18-crown-6 (50 mg, 0.191 mmol) and piperidine (944 μl, 9.57 mmol) in toluene (10 mL). Flush the mixture with nitrogen and heat overnight. Cool to ambient temperature, dilute with water and extract three times with EtOAc. Dry over anhydrous Na2SO4 and concentrate in vacuo. Purify by chromatography on silica gel eluting with hexane/EtOAc (9:1) to give 3-tert-butoxycarbonyl-7-chloro-6-(3-fluoro-4-piperidin-1-yl-benzylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine as a yellow oil (511 mg, 33%). Use a method similar to the General Procedure 1-4 to give the title compound as a white solid. MS (ES+) m/z: 405 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08022062B2
Source datasetuspto-grants-2011_09
ORD IDord-5403470c558e4cb8901dd9acc08d025a
Source noteuspto-grants-2011_09