HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 716764Generated: October 30, 2026
Benzene, 1-bromo-3-nitro- → HCID 86641451, compound
https://huagongshe.com/reaction/716764
Participants
| Role | Name | HCID | Charge |
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| Reactant | Benzene, 1-bromo-3-nitro- | HCID 11457 | — |
| Reactant | Tert-butyl acetoacetate | HCID 15538 | — |
| Reactant | N-Allyl-2,2,2-trifluoroacetamide | HCID 558569 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Product | HCID 86641451 | HCID 86641451 | — |
Reaction Steps
Palladium (II) acetate (0.449 g, 0.002 mol) was added to a mixture of N-allyl-2,2,2-trifluoroacetamide (4.2 g, 0.02 mol), 1-bromo-3-nitrobenzene (5.09 g, 0.03 mol) and TBAA. The reaction mixture was flushed with argon and heated under argon at 90° C. for 4 h. The reaction mixture was partitioned between EtOAc and water. Organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure to give dark brown viscous liquid. Purification by flash chromatography (5% to 30% EtOAc—hexane gradient) gave 2,2,2-trifluoro-N-(3-(3-nitrophenyl)allyl)acetamide as light yellow solid. Yield (3.5 g, 61%); 1H NMR (400 MHz, DMSO-d6) δ 9.77 (br.s, 1H), 8.27 (s, 1H), 8.10 (d, J=8.0 Hz, 1H), 7.93 (d, J=7.6 Hz, 1H), 7.63 (t, J=8.0 Hz, 1H), 6.71 (d, J=16.0 Hz, 1H), 6.51 (dt, J=5.6, 16.0 Hz, 1H), 4.02 (t, J=5.6 Hz, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09193669B2 |
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| Source dataset | uspto-grants-2015_11 |
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| ORD ID | ord-3f3b5d1dc3e14b04a7199e21e322c2d9 |
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| Source note | uspto-grants-2015_11 |
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