Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzyl mercaptan | HCID 7509 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| Reactant | 5-Bromo-6-fluoro-1H-indazole | HCID 46863923 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | HCID 90111076 | HCID 90111076 | — |
Reaction Steps
A solution of 5-bromo-6-fluoro-1H-indazole (1-1, 1.0 g, 5.08 mmol, 1.0 equiv), Xantphos (0.294 g, 0.508 mmol, 0.1 equiv), and Pd2(dba)3 (0.465 g, 0.508 mmol, 0.1 equiv) was made in dioxane (25 mL) followed by the addition of DIEA (1.77 mL, 10.15 mmol, 2.0 equiv) and benzylmercaptan (0.630 mL, 5.33 mmol, 1.05 equiv) and the reaction was stirred at 120° C. overnight. The reaction mixture concentrated in vacuo and purified using normal phase chromatography. ESI+ MS [M+H]+ C14H11FN2S: 259.9 found, 259.3 required.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09388179B2 |
|---|
| Source dataset | uspto-grants-2016_07 |
|---|
| ORD ID | ord-0ee2714024f140088896ad796c9ec1e1 |
|---|
| Source note | uspto-grants-2016_07 |
|---|
