1-(Benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt → HCID 136394754, compound

HRID 857580Notes

Reaction equation

FC(F)(F)C(O)=O.[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][NH:23][CH2:22][C:21]1=[O:26])(=[O:19])=[O:18].[CH3:27][O:28][C:29]1[CH:30]=[C:31]([CH:51]=[CH:52][C:53]=1[O:54][CH3:55])[CH2:32][O:33][C:34]([NH:36][C:37]1[NH:38][C:39](=[O:50])[C:40]2[N:41]=[CH:42][N:43]([CH2:46][C:47](O)=[O:48])[C:44]=2[N:45]=1)=[O:35]>>[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][N:23]([C:47](=[O:48])[CH2:46][N:43]2[CH:42]=[N:41][C:40]3[C:39](=[O:50])[NH:38][C:37]([NH:36][C:34]([O:33][CH2:32][C:31]4[CH:51]=[CH:52][C:53]([O:54][CH3:55])=[C:29]([O:28][CH3:27])[CH:30]=4)=[O:35])=[N:45][C:44]2=3)[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]

Participants

Reactant 2

HCID 685235511-(Benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt

HCID 136364015HCID 136364015, compound

Product 1

HCID 136394754HCID 136394754, compound

Procedure

The title compound was synthesized by the reaction of 1-(benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt with [2-N-(3,4-dimethoxybenzyloxycarbonyl)-guanin-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 11.41 (s, 1H), 11.37 (s, 1H), 8.34 (m, 1H), 8.24 (m, 1H), 7.81 (s, 0.6H), 7.77 (s, 0.4H), 7.71 (m, 2H), 7.04 (s, 1H), 6.95 (d, 1H), 6.94 (d, 1H), 5.15 (s, 2H), 5.13 (s, 1.2H), 5.02 (s, 0.8H), 4.51 (s, 0.8H), 4.27 (s, 1.2H), 4.24 (t, 1.2H), 4.07 (t, 0.8H), 4.03 (t, 1.2H), 3.84 (t, 0.8H), 3.75 (s, 3H), 3.74 (s, 3H).

Sources & evidence

ORD record: ord-a8c12860f5bd4729b48b25e8f20bfb6c
Source dataset: uspto-grants-2006_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07145006B2

Reaction notes

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