HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isocyanatocarbonyl chloride → 4-(2,4-Dioxo-2,3,4,5,7,8-hexahydropyrano[3,4-e][1,3]oxazin-8-yl)benzonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isocyanatocarbonyl chloride | HCID 119708 | — |
| Reactant | 4-(4-oxotetrahydro-2H-pyran-3-yl)benzonitrile | HCID 58075570 | — |
| Product | 4-(2,4-Dioxo-2,3,4,5,7,8-hexahydropyrano[3,4-e][1,3]oxazin-8-yl)benzonitrile | HCID 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, 2 H) 7.41-7.51 (m, 2 H) 4.61-4.75 (m, 1 H) 4.50 (dd, J=15.49, 2.14 Hz, 1 H) 4.04-4.20 (m, 2 H) 3.78 (br. s., 1 H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08710061B2 |
| Source dataset | uspto-grants-2014_04 |
| ORD ID | ord-124047d4369447aea1c3f1785101960e |
| Source note | uspto-grants-2014_04 |