HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1667533Generated: October 30, 2026
2-Bromobenzonitrile → HCID 58996706, compound
https://huagongshe.com/reaction/1667533
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 2-Bromobenzonitrile | HCID 16272 | — |
| Reactant | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| Reactant | Tert-butyl 1,4-diazepane-1-carboxylate | HCID 2756058 | — |
| Reactant | Sodium t-butoxide | HCID 23676156 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | HCID 58996706 | HCID 58996706 | 71% |
Reaction Steps
A mixture of Boc-homopiperazine (900 mg, (4.63 mmol), 2-bromobenzonitrile (766 mg, 4.211 mmol), Pd2(dba)3 (193 mg, 0.21 mmol), xantphos (366 mg, 0.63 mmol), sodium t-butoxide (1.19 g, 12.6 mmol) in degassed anhydrous dioxane (10 mL) was heated at 120° C. in a sealed tube for 2 h. The mixture was allowed to cool and filtered through celite. The filtrate was concentrated and purified by chromatography (EtOAc/hexanes) to yield the title compound (905 mg, 71%). m/z (M+1) 301.27.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08044041B2 |
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| Source dataset | uspto-grants-2011_10 |
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| ORD ID | ord-c4e271d4ced64495baad2c7e508f3e6b |
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| Source note | uspto-grants-2011_10 |
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