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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 451120Generated: October 30, 2026

Isocyanatocarbonyl chloride → 4-(2,4-Dioxo-2,3,4,5,7,8-hexahydropyrano[3,4-e][1,3]oxazin-8-yl)benzonitrile

https://huagongshe.com/reaction/451120

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsocyanatocarbonyl chlorideHCID 119708—
Reactant4-(4-oxotetrahydro-2H-pyran-3-yl)benzonitrileHCID 58075570—
Product4-(2,4-Dioxo-2,3,4,5,7,8-hexahydropyrano[3,4-e][1,3]oxazin-8-yl)benzonitrileHCID 58075423—

Reaction Steps

4-(4-oxotetrahydro-2H-pyran-3-yl)benzonitrile (Intermediate AA(2)) was reacted as described in Intermediate X(3) with carbonisocyanatidic chloride to give 4-(2,4-dioxo-2,3,4,5,7,8-hexahydropyrano[3,4-e][1,3]oxazin-8-yl)benzonitrile (Intermediate AA(3)). LC-MS (M+H)+=271.1. 1H NMR (400 MHz, CDCl3) δ ppm 7.57-7.78 (m, 2H) 7.41-7.51 (m, 2H) 4.61-4.75 (m, 1H) 4.50 (dd, J=15.49, 2.14 Hz, 1H) 4.04-4.20 (m, 2H) 3.78 (br. s., 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08486952B2
Source datasetuspto-grants-2013_07
ORD IDord-252f79f4f5a54696b9de38fd9d0be019
Source noteuspto-grants-2013_07