Lawesson's reagent → HCID 9904865, compound

HRID 1793350Notes

Reaction equation

HRID 1793350 reaction equation
[CH3:1][C:2]1([CH3:22])[O:7][C:6](=O)[NH:5][C:4]2[CH:9]=[CH:10][C:11]([C:13]3[CH:14]=[C:15]([CH:18]=[C:19]([F:21])[CH:20]=3)[C:16]#[N:17])=[CH:12][C:3]1=2.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:32])=CC=1>>[CH3:1][C:2]1([CH3:22])[O:7][C:6](=[S:32])[NH:5][C:4]2[CH:9]=[CH:10][C:11]([C:13]3[CH:14]=[C:15]([CH:18]=[C:19]([F:21])[CH:20]=3)[C:16]#[N:17])=[CH:12][C:3]1=2

Participants

3

Reactant 2

HCID 87949Lawesson's reagentHCID 98391343-(4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)-5-fluorobenzonitrile

Product 1

HCID 9904865HCID 9904865, compound

Procedure

The product was prepared, from 3-(4,4-dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluorobenzonitrile and Lawesson's reagent using the procedure of Example 9, as a yellow solid: 248–249° C.; 1H-NMR (DMSO-d6) δ 12.3 (s, 1H), 8.15 (bs, 1H), 8.02 (d, 1H, J=10.48 Hz), 7.85–7.78 (m, 3H), 7.13 (d, 1H, J=8.92 Hz), 1.71 (s, 6H); MS(APCI) m/z 313([M+H]+, 100%); Anal. Calc. For C17H13FN2OS: C, 65.37, H, 4.19, N, 8.97. Found: C, 65.26, H, 4.31, N, 8.61.

Workup

  1. custom248–249° C.

Sources & evidence

ORD record
ord-78d414029c0d443d943cdb207a4e71ef
Source dataset
uspto-grants-2006_07
Patent number
US07081457B2

Reaction notes

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