1-(Benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt → HCID 136384178, compound

HRID 857581Notes

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].[CH2:27]([O:37][C:38]([NH:40][C:41]1[NH:42][C:43](=[O:54])[C:44]2[N:45]=[CH:46][N:47]([CH2:50][C:51](O)=[O:52])[C:48]=2[N:49]=1)=[O:39])[C:28]1[CH:36]=[CH:35][C:34]2[O:33][CH2:32][O:31][C:30]=2[CH:29]=1>>[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:51](=[O:52])[CH2:50][N:47]2[CH:46]=[N:45][C:44]3[C:43](=[O:54])[NH:42][C:41]([NH:40][C:38]([O:37][CH2:27][C:28]4[CH:36]=[CH:35][C:34]5[O:33][CH2:32][O:31][C:30]=5[CH:29]=4)=[O:39])=[N:49][C:48]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 136364025HCID 136364025, compound

Product 1

HCID 136384178HCID 136384178, compound

Procedure

The title compound was synthesized by the reaction of 1-(benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt with [2-N-(piperonyloxycarbonyl)-guanin-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 11.40 (brs, 2H), 8.36 (m, 1H), 8.27 (m, 1H), 7.84 (s, 0.6H), 7.78 (s, 0.4H), 7.73 (m, 2H), 7.02 (s, 1H), 6.93 (s, 2H), 6.04 (s, 2H), 5.15 (m, 3.2H), 5.05 (s, 0.8H), 4.55 (s, 0.8H), 4.30 (s, 1.2H), 4.27 (t, 1.2H), 4.11 (t, 0.8H), 4.07 (t, 1.2H), 3.88 (t, 0.8H).

Sources & evidence

ORD record: ord-682ce89e97ec4409acb32e5123b6bbd2
Source dataset: uspto-grants-2006_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07145006B2

Reaction notes

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