Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | 4-Bromo-2-fluorophenylisothiocyanate | HCID 2757003 | — |
| Reactant | 2-(2-Chloropyridin-3-yl)acetonitrile | HCID 14739543 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Product | HCID 24739707 | HCID 24739707 | 9% |
Reaction Steps
4-Bromo-2-fluoro-1-isothiocyanatobenzene (250 mg, 1.08 mmol) and (2-chloropyridin-3-yl)acetonitrile (D. H. Bremner et al., Synthesis, 1997, 949) (165 mg, 1.08 mmol) were stirred in DMSO (20 mL) and sodium hydride (52 mg, 1.3 mmol) added portionwise. After evolution of gases had finished the reaction mixture was heated for 4 h at 80° C. After this time the reaction mixture was added to ice (50 mL) and a precipitate formed. This was filtered and purified by preparative HPLC (pH 10, 2-3 min) to give the title compound as a white powder (30 mg, 9%). δH (DMSO-d6) 10.45 (1H, s), 8.31 (1H, d, J 3.9 Hz), 7.75 (2H, m), 7.51-7.38 (3H, m). LCMS (ES+) RT 3.49 minutes, 350 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08604051B2 |
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| Source dataset | uspto-grants-2013_12 |
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| ORD ID | ord-36beec6af53c40e1ae10ad3bf9e346e5 |
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| Source note | uspto-grants-2013_12 |
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