Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1677649Generated: November 2, 2026

Benzothiazolone → HCID 131729122, compound

https://huagongshe.com/reaction/1677649

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzothiazoloneHCID 13625—
ReactantHexyl isocyanateHCID 75659—
SolventPyridineHCID 1049—
ProductHCID 131729122HCID 131729122—

Reaction Conditions

Temperature100 °C

Reaction Steps

75 mg (0.45 mmol) of 3H-benzothiazol-2-one were dissolved in 10 ml of pyridine. Addition of 76 mg (0.59 mmol) of 1-isocyanatohexane was followed by stirring at 100° C. for 6 h, addition once again of the same amount of isocyanatohexane and stirring at 100° C. for 6 h. The reaction mixture was concentrated, and the residue was dissolved in water and extracted with ethyl acetate. The organic phase was concentrated and purified by preparative HPLC (PR18, acetonitrile/water 0.1% TFA). Yield: 38 mg (28%), M+H+: 279.15.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08008331B2
Source datasetuspto-grants-2011_08
ORD IDord-9b1d833c617a411dbebe7fb501a5c5b5
Source noteuspto-grants-2011_08