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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1626041Generated: October 25, 2026

2-Chloroethyl isocyanate → {7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} (2-chloroethyl)carbamate

https://huagongshe.com/reaction/1626041

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Chloroethyl isocyanateHCID 16035—
ReactantTolvaptanHCID 216237—
Catalyst4-(Dimethylamino)pyridineHCID 14284—
SolventTolueneHCID 1140—
Product{7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} (2-chloroethyl)carbamateHCID 8670893782%

Reaction Conditions

Temperature80 °C

Reaction Steps

Tolvaptan (1.0 g, 2.2 mmol) was suspended in toluene (7 ml). 2-Chloroethyl isocyanate (0.28 ml, 3.3 mmol) and 4-dimethylaminopyridine (DMAP) (27 mg, 0.22 mmol) were added thereto, and the mixture was stirred at 80° C. for 24 hours. After cooling to room temperature, the insoluble materials were filtered off and washed with ethyl acetate. The filtrate was concentrated under reduced pressure. The residue was purified by silica gel flash chromatography (n-hexane:ethyl acetate=54:46→33:67). The purified product was concentrated under reduced pressure to obtain 1.0 g of {7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} (2-chloroethyl)carbamate as white amorphous solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08785386B2
Source datasetuspto-grants-2014_07
ORD IDord-9fe534f567614bffb36b8f5245581215
Source noteuspto-grants-2014_07