Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzothiazolone | HCID 13625 | — |
| Reactant | Hexyl isocyanate | HCID 75659 | — |
| Solvent | Pyridine | HCID 1049 | — |
| Product | HCID 131729122 | HCID 131729122 | — |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08008331B2 |
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| Source dataset | uspto-grants-2011_08 |
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| ORD ID | ord-9b1d833c617a411dbebe7fb501a5c5b5 |
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| Source note | uspto-grants-2011_08 |
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