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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 548375Generated: October 28, 2026

Ethyl Acetate → HCID 136402450, compound

https://huagongshe.com/reaction/548375

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
ReactantAmmonium formateHCID 2723923—
ReactantHCID 136402469HCID 136402469—
CatalystPalladiumHCID 23938—
SolventMethanolHCID 887—
ProductHCID 136402450HCID 13640245074%

Reaction Conditions

Temperature50 °C

Reaction Steps

5-(7-Bromo-1,1-dioxo-1,4-dihydro-1λ6-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)-3-(4-fluoro-benzyl)-6-hydroxy-3-aza-tricyclo[6.2.1.02,7]undec-5-en-4-one (prepared as described in Example 62, 0.07 g, 0.128 mmol) was dissolved in methanol (8 mL). Ammonium formate (0.2 g, 3.17 mmol) followed by 10% palladium on carbon (wet, 0.1 g) were added. The mixture stirred at 50° C. for 3 h. The mixture was filtered through Celite and the filtrate was concentrated in vacuo. The residue was dissolved in water (5 mL) and ethyl acetate (50 mL). The mixture was shaken and the layers were separated. The organic layer was dried over magnesium sulfate, filtered and concentrated in vacuo to a clear oil. Flash column chromatography (Merck silica gel 60, 40-63 μm; 20 to 40% ethyl acetate in hexanes) afforded the desired product, (1R,2S,7R,8S)-5-(1,1-dioxo-1,4-dihydro-1λ6-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)-3-(4-fluoro-benzyl)-6-hydroxy-3-aza-tricyclo[6.2.1.02,7]undec-5-en-4-one (0.0441 g, 0.094 mmol, 74%), as a white, brittle foam. 1H NMR (400 MHz, DMSO-d6) δ: 1.11-1.61 (6H, m), 2.51 (1H, s), 2.63 (1H, s), 2.99 (1H, d, J=9.4 Hz), 3.54 (1H, d, J=9.4 Hz), 4.41 (1H, d, J=15.7 Hz), 4.95 (1H, d, J=15.4 Hz), 7.14 (2H, t, J=8.6 Hz), 7.33 (2H, dd, J1=8.6 Hz, J2=5.4 Hz), 7.51 (1H, dd, J1=7.8 Hz, J2=4.5 Hz), 8.34 (1H, d, J=7.6 Hz), 8.68 (1H, dd, J1=4.6 Hz, J2=1.7 Hz). LC-MS (ESI) calcd for C23H21FN4O4S 468.13, found 469.4 [M+H+].

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07939524B2
Source datasetuspto-grants-2011_05
ORD IDord-e5457c9bd99a4eeeaa7a8ab7faa9a3c3
Source noteuspto-grants-2011_05