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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 858706Generated: October 30, 2026

2-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl)-2-methylpropanenitrile → HCID 68865238, compound

https://huagongshe.com/reaction/858706

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl)-2-methylpropanenitrileHCID 58762654—
ReactantHCID 68866352HCID 68866352—
ProductHCID 68865238HCID 68865238—

Reaction Steps

The desired product was prepared analogously to Example A (97), step 4, substituting 2-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2,6-difluorophenyl}-2-ethyl-butyronitrile (3.11 g, 6.55 mmol) from Step 2 below in place of 2-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl}-2-methylpropanenitrile. Yield: 1.52 g, 56%. 1H NMR (CDCl3) δ: 1.03 (t, J=3.65 Hz, 6H), 1.18–1.29 (m, 2H), 1.38–1 42 (m, 1H), 1.60–1.82 (m, 4H), 1.92–2.09 (m, 5H), 2.23–2.29 (m, 3H), 2.63–2.80 (m, 4H), 3.45 (d, J=3.6 Hz, 2H) 6.73 (d, J=10.8 Hz, 2H). MS (ESI): 416 (M−1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07148226B2
Source datasetuspto-grants-2006_12
ORD IDord-c7acd0adf631497792660d729c4a1361
Source noteuspto-grants-2006_12