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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 969339Generated: October 30, 2026

1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate → (S)-7-Fluoro-4-(3-hydroxy-2-methylpropyl)-4H-benzo[1,4]oxazin-3-one

https://huagongshe.com/reaction/969339

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-Butanaminium, N,N,N-tributyl-, fluoride, hydrateHCID 16211673—
Reactant(S)-4-[3-(tert-Butyldimethylsilanyloxy)-2-methylpropyl]-7-fluoro-4H-benzo[1,4]oxazin-3-oneHCID 68908713—
SolventEthylacetate heptaneHCID 21899848—
Product(S)-7-Fluoro-4-(3-hydroxy-2-methylpropyl)-4H-benzo[1,4]oxazin-3-oneHCID 68911504100.4%

Reaction Steps

The compound (S)-4-[3-(tert-Butyldimethylsilanyloxy)-2-methy-propyl]-7-fluoro-4H-benzo[1,4]oxazin-3-one (111MF14) (3.79 g, 10.7 mmol) and tetrabutylammonium flouride monohydrate (3.99 g, 14.3 mmol) were mixed according to GP8. CC (SiO2; Heptane/EtOAc 4:1-4) gave the title compound (111MF18) (2.57 g, 100%). 1H NMR (CDCl3) δ 6.99-6.95 (m, 1H), 7.77-7.72 (m, 2H), 4.63 (m, 2H), 4.23-4.16 (m, 1H), 3.58-3.40 (m, 3H), 2.86 (s, 1H), 2.05-1.97 (m, 1H), 1.04 (d, J=6.8 Hz, 3H); 13C NMR (CDCl3) 164.6, 159.2 (d, J=244.5 Hz), 146.4 (d, J=11.6 Hz), 124.9 (d, J=3.1 Hz), 115.9 (d, J=9.6 Hz), 109.4 (d, J=22.7 Hz), 105.3 (d, J=26.1 Hz), 67.5, 63.8, 43.8, 34.0, 15.0.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07307075B2
Source datasetuspto-grants-2007_12
ORD IDord-fcb5f6f4e3054abf9f6a95c1d24a6419
Source noteuspto-grants-2007_12