HCID 67095886, compound → HCID 57780704, compound

HRID 2076095Notes

Reaction equation

[CH2:1]([O:3][C:4](=[O:17])[CH2:5][CH:6]1[CH2:11][CH2:10][CH2:9]/[C:8](=[CH:12]\N(C)C)/[C:7]1=O)[CH3:2].[N+]([O-])(O)=O.[N+]([O-])(O)=O.[CH3:26][O:27][C:28]1[CH:29]=[C:30]([NH:40][C:41]([NH2:43])=[NH:42])[CH:31]=[CH:32][C:33]=1[N:34]1[CH:38]=[C:37]([CH3:39])[N:36]=[CH:35]1>>[CH2:1]([O:3][C:4](=[O:17])[CH2:5][CH:6]1[C:7]2[N:43]=[C:41]([NH:40][C:30]3[CH:31]=[CH:32][C:33]([N:34]4[CH:38]=[C:37]([CH3:39])[N:36]=[CH:35]4)=[C:28]([O:27][CH3:26])[CH:29]=3)[N:42]=[CH:12][C:8]=2[CH2:9][CH2:10][CH2:11]1)[CH3:2]

Participants

Reactant 2

HCID 67095886HCID 67095886, compound

HCID 178493228HCID 178493228, compound

Product 1

HCID 57780704HCID 57780704, compound

Procedure

The title compound was prepared from crude {3-[1-dimethylamino-meth-(E)-ylidene]-2-oxo-cyclohexyl}-acetic acid ethyl ester (108 mg, 0.33 mmol) and N-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-guanidine dinitrate (111 mg, 0.30 mmol) using in analogous manner the procedure described in example 45b). Obtained as yellow crystals (83 mg, 66%). MS ISP (m/e): 422.2 (100) [(M+H)+]. 1H NMR (DMSO-D6, 300 MHz): δ (ppm)=9.60 (s, 1H), 8.25 (s, 1H), 7.88 (s, 1H), 7.65 (s, 1H), 7.27 (d, 1H), 7.20 (d, 1H), 7.02 (s, 1H), 4.06 (q, 2H), 3.79 (s, 3H), 3.10 (m, 2H), 2.60-2.70 (m, 3H), 2.14 (s, 3H), 2.02 (m, 1H), 1.86 (m, 1H), 1.65 (m, 2H), 1.15 (t, 3H).

Sources & evidence

ORD record: ord-fbc42b5356f646ab8247fd13814a334d
Source dataset: uspto-grants-2011_04
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07923450B2

Reaction notes

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