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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

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzene, 1-bromo-3-nitro-HCID 11457—
ReactantTert-butyl acetoacetateHCID 15538—
ReactantN-Allyl-2,2,2-trifluoroacetamideHCID 558569—
Catalystpalladium(II) acetateHCID 167845—
ProductHCID 86641451HCID 86641451—

Reaction Conditions

Temperature90 °C

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09193669B2
Source datasetuspto-grants-2015_11
ORD IDord-3f3b5d1dc3e14b04a7199e21e322c2d9
Source noteuspto-grants-2015_11