Thiosemicarbazide → HCID 57900121, compound

HRID 2079045Notes

Reaction equation

HRID 2079045 reaction equation
Br[CH:2]1[CH2:8][CH2:7][O:6][C:5]2[CH:9]=[CH:10][C:11]([Br:13])=[CH:12][C:4]=2[C:3]1=O.[NH2:15][NH:16][C:17]([NH2:19])=[S:18]>>[Br:13][C:11]1[CH:10]=[CH:9][C:5]2[O:6][CH2:7][CH2:8][C:2]3[S:18][C:17]([NH:16][NH2:15])=[N:19][C:3]=3[C:4]=2[CH:12]=1

Participants

3

Reactant 2

HCID 2723789ThiosemicarbazideHCID 579004584,7-dibromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Product 1

HCID 57900121HCID 57900121, compound

Procedure

Following the procedure for 449, Step 2, 4,7-dibromo-3,4-dihydro-2H-benzo[b]oxepin-5-one was reacted with thiosemicarbazide to afford the title compound as a beige solid. LCMS (Method E): RT=3.85 min, [M+H]+=312 and 314. 1H NMR (DMSO-d6): 10.13 (2H, bs), 9.80 (1H, bs), 8.49 (1H, d, J=2.6 Hz), 7.37 (1H, dd, J=8.6, 2.6 Hz), 6.97 (1H, d, J=8.6 Hz), 4.29 (2H, t, J=5.0 Hz), 3.21 (2H, t, J=5.0 Hz).

Sources & evidence

ORD record
ord-13fa39e2057c48d4a6816281618e4010
Source dataset
uspto-grants-2011_04
Patent number
US07928248B2

Reaction notes

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