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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1503414Generated: October 26, 2026

Acetic Acid → 6'-Bromo-4-(2,2,2-trifluoroethylamino)spiro[cyclohexane-1,2'-inden]-1'(3'h)-one

https://huagongshe.com/reaction/1503414

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantEthanamine, 2,2,2-trifluoro-HCID 9773—
ReactantSodium triacetoxyborohydrideHCID 5049666—
Reactant6'-Bromospiro[cyclohexane-1,2'-indene]-1',4(3'H)-dioneHCID 58197205—
Solvent1,1-DichloroethaneHCID 6365—
Product6'-Bromo-4-(2,2,2-trifluoroethylamino)spiro[cyclohexane-1,2'-inden]-1'(3'h)-oneHCID 5819765982%

Reaction Steps

In a 25 mL round bottom flask was placed 6′-bromospiro[cyclohexane-1,2′-indene]-1′,4(3′H)-dione (501 mg, 1.716 mmol) and it was dissolved in dichloroethane (5.7 mL). To this solution was added the trifluoro ethylamine (162 μL, 2.059 mmol), AcOH (124 μL, 2.059 mmol), and NaBH(OAc)3 (582 mg, 2.746 mmol) at last. The reaction was stirred at room temperature. When the reaction was completed it was quenched with saturated NaHCO3 (aq) (20 mL) and diluted with ethyl acetate (20 mL). The phases were separated and the aqueous phase was back-extracted with ethyl acetate twice (5 mL/each). The combined organic phases were dried over Na2SO4, filtered and concentrated under reduce pressure. The crude material was purified by flash chromatography (ISCO, 40 g SiO2 cartridge, ethyl acetate/hexanes as the eluents). At the end, two isomers were obtained and their corresponding fractions were combined separately and concentrated under reduce pressure yielding 6′-bromo-4-(2,2,2-trifluoroethylamino)spiro[cyclohexane-1,2′-inden]-1′(3′H)-one (axial, 97b) (420 mg, 1.120 mmol) and 6′-bromo-4-(2,2,2-trifluoroethylamino)spiro[cyclohexane-1,2′-inden]-1′(3′H)-one (equatorial, 98b) (108 mg, 0.288 mmol) (82% yield). Compound 97b: M+H=375.9, 1H NMR=(CDCl3, 400 MHz) δ 7.85 (d, J=1.6 Hz, 1H), 7.67 (dd, J=8.0, 1.6 Hz, 1H), 7.29 (d, J=8.0 Hz, 1H), 3.21 (q, J=9.2 Hz, 2H), 2.93 (s, 2H), 2.90 (m, 1H), 2.01-1.94 (m, 2H), 1.87-1.81 (m, 2H), 1.75-1.68 (m, 2H), 1.38-1.29 (m, 2H). Compound 98b: M+H=375.8, 1H NMR=(CDCl3, 400 MHz) δ 7.86 (d, J=1.6 Hz, 1H), 7.68 (dd, J=8.0, 1.6 Hz, 1H), 7.32 (d, J=8.0 Hz, 1H), 3.24 (q, J=9.6 Hz, 2H), 2.95 (s, 2H), 2.68 (m, 1H), 2.03-1.97 (m, 2H), 1.81-1.74 (ddd, J=14.0, 14.0, 3.6 Hz, 2H), 1.46 (m, 2H), 1.31-1.21 (m, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09212153B2
Source datasetuspto-grants-2015_12
ORD IDord-898180c05acc4116ba42ed48849f0d04
Source noteuspto-grants-2015_12