HCID 67096171, compound → HCID 57780723, compound

HRID 2076093Notes

Reaction equation

HRID 2076093 reaction equation
[Cl:1][C:2]1[CH:3]=[C:4]([S:8]([CH:11]2[CH2:16][CH2:15][CH2:14]/[C:13](=[CH:17]\N(C)C)/[C:12]2=O)(=[O:10])=[O:9])[CH:5]=[CH:6][CH:7]=1.[N+]([O-])(O)=O.[N+]([O-])(O)=O.[CH3:30][O:31][C:32]1[CH:33]=[C:34]([NH:44][C:45]([NH2:47])=[NH:46])[CH:35]=[CH:36][C:37]=1[N:38]1[CH:42]=[C:41]([CH3:43])[N:40]=[CH:39]1>>[Cl:1][C:2]1[CH:3]=[C:4]([S:8]([CH:11]2[C:12]3[N:47]=[C:45]([NH:44][C:34]4[CH:35]=[CH:36][C:37]([N:38]5[CH:42]=[C:41]([CH3:43])[N:40]=[CH:39]5)=[C:32]([O:31][CH3:30])[CH:33]=4)[N:46]=[CH:17][C:13]=3[CH2:14][CH2:15][CH2:16]2)(=[O:10])=[O:9])[CH:5]=[CH:6][CH:7]=1

Participants

3

Reactant 2

HCID 67096171HCID 67096171, compoundHCID 178493228HCID 178493228, compound

Product 1

HCID 57780723HCID 57780723, compound

Procedure

The title compound was prepared from crude 2-(3-chloro-benzenesulfonyl)-6-[1-dimethylamino-meth-(E)-ylidene]-cyclohexanone (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 a yellow solid (46 mg, 30%). MS ISP (m/e): 510.3/512.2 (100/39) [(M+H)+]. 1H NMR (DMSO-D6, 300 MHz): δ (ppm)=9.59 (s, 1H), 8.39 (s, 1H), 7.66-7.70 (m, 3H), 7.58 (d, 1H), 7.47-7.52 (m, 2H), 7.02-7.04 (m, 2H), 6.96 (d, 1H), 4.89 (m, 1H), 3.68 (s, 3H), 2.51-2.65 (m, 2H), 2.16 (s, 3H), 2.00-2.16 (m, 3H), 1.76 (m, 1H).

Sources & evidence

ORD record
ord-8bd04ad792234398b7131a1f3820a6f8
Source dataset
uspto-grants-2011_04
Patent number
US07923450B2

Reaction notes

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