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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 419849Generated: October 30, 2026

4-Chlorophenyl isothiocyanate → tert-Butyl 4-{[(4-chlorophenyl)amino]carbonothioyl}-1,4-diazepane-1-carboxylate

https://huagongshe.com/reaction/419849

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-Chlorophenyl isothiocyanateHCID 16480—
ReactantTert-butyl 1,4-diazepane-1-carboxylateHCID 2756058—
SolventEthanolHCID 702—
Producttert-Butyl 4-{[(4-chlorophenyl)amino]carbonothioyl}-1,4-diazepane-1-carboxylateHCID 59347509—

Reaction Steps

A mixture of 4-chlorophenyl isothiocyanate (5.0 g, 29.95 mmol), and BOC-homopiperazine (6.0 g, 29.95 mmol) in ethanol (50 mL) was stirred at room temperature for 2 hours. The mixture was evaporated under reduced pressure, the residue was partitioned between ethyl acetate and water and the layers were separated. The organic phase was dried over MgSO4 and evaporated under reduced pressure to give the title compound as a white foam.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08093400B2
Source datasetuspto-grants-2012_01
ORD IDord-37b6b62585d0483cab31f913c1d06d92
Source noteuspto-grants-2012_01