HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1667536Generated: October 30, 2026
tert-Butyl piperazine-1-carboxylate → Tert-butyl 4-[2-cyano-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
https://huagongshe.com/reaction/1667536
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | tert-Butyl piperazine-1-carboxylate | HCID 143452 | — |
| Reactant | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| Reactant | 2-Bromo-5-(trifluoromethyl)benzonitrile | HCID 12223980 | — |
| Reactant | Sodium t-butoxide | HCID 23676156 | — |
| Catalyst | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | Tert-butyl 4-[2-cyano-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate | HCID 59793685 | 15% |
Reaction Steps
A mixture of Boc-piperazine (573 mg, (3.08 mmol), 2-bromo-5-trifluoromethylbenzonitrile (700 mg, 2.80 mmol), Pd2(dba)3 (256 mg, 0.28 mmol), xantphos (486 mg, 0.84 mmol), sodium t-butoxide (660 mg, 7.0 mmol) in degassed anhydrous dioxane (10 mL) was heated at 85° C. for 1 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 (150 mg, 15%). m/z (M+1) 356.37.
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-8f465d2d526846c6bb87d53fb61fc54d |
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| Source note | uspto-grants-2011_10 |
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