Hydrochloric Acid → HCID 67668060, compound

HRID 1289989Notes

Reaction equation

HRID 1289989 reaction equation
[CH3:1][O:2][C:3]([CH:5]1[CH2:9][CH2:8][CH:7]([NH:10][CH2:11][C:12]2[CH:17]=[C:16]([C:18]3[N:19]=[CH:20][S:21][CH:22]=3)[CH:15]=[CH:14][C:13]=2[O:23][CH3:24])[CH:6]1[C:25]1[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=1)=[O:4].[ClH:32]>CO.C(OCC)C>[ClH:32].[CH3:1][O:2][C:3]([CH:5]1[CH2:9][CH2:8][CH:7]([NH:10][CH2:11][C:12]2[CH:17]=[C:16]([C:18]3[N:19]=[CH:20][S:21][CH:22]=3)[CH:15]=[CH:14][C:13]=2[O:23][CH3:24])[CH:6]1[C:25]1[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=1)=[O:4]

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 67668061HCID 67668061, compound

Product 1

HCID 67668060HCID 67668060, compound

Reagents, catalysts & solvents 1

HCID 21864698Diethyl ether methanolSolvent

Procedure

Exposure of the product from Step B above to 1.0 equivalent of HCl in methanol/ethyl ether followed by evaporation provided the title compound as a white solid. NMR (400 MHz, CD3OD): δ 9.06 (d, 1H, J=2 Hz), 7.99 (dd, 1H, J=9,2 Hz), 7.85 (d, 1H, J=2 Hz), 7.79 (d, 1H, J=2 Hz), 7.39 (dd, 2H, J=9,5 Hz), 7.22 (t, 2H, J=9 Hz), 7.12 (d, 1H, J=9 Hz), 4.25 (d, 1H, J=13 Hz), 4.10 (d, 1H, J=13 Hz), 3.96-3.85 (m, 2H), 3.75 (s, 3H), 3.63 (s, 3H), 3.38 (quartet, 1H, J=8 Hz), 2.51-2.36 (m, 2H), 2.18-1.96 (m, 2H).

Sources & evidence

ORD record
ord-66467b6e4e8f405587227fb75caeda18
Source dataset
uspto-grants-1998_05
Patent number
US05750549

Reaction notes

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