1-(Benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt → HCID 136394746, compound

HRID 349654Notes

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][S:28][CH2:29][CH2:30][O:31][C:32]([NH:34][C:35]1[NH:36][C:37](=[O:48])[C:38]2[N:39]=[CH:40][N:41]([CH2:44][C:45](O)=[O:46])[C:42]=2[N:43]=1)=[O:33]>>[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:45](=[O:46])[CH2:44][N:41]2[CH:40]=[N:39][C:38]3[C:37](=[O:48])[NH:36][C:35]([NH:34][C:32]([O:31][CH2:30][CH2:29][S:28][CH3:27])=[O:33])=[N:43][C:42]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 135616177HCID 135616177, compound

Product 1

HCID 136394746HCID 136394746, compound

Procedure

The title compound was synthesized by the reaction of 1-(benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt with [2-N-(2-methylthioethoxycarbonyl)-guanin-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 11.41 (brs, 1H), 11.35 (brs, 1H), 8.35 (m, 1H), 8.25 (m, 1H), 7.82 (d, 0.6H), 7.78 (d, 0.4H), 7.72 (m, 2H), 5.14 (s, 1.2H), 5.03 (s, 0.8H), 4.51 (s, 0.8H), 4.32 (t, 2H), 4.27 (s, 1.2H), 4.24 (t, 1.2H), 4.08 (t, 0.8H), 4.04 (t, 1.2H), 3.85 (t, 0.8H), 2.75 (t, 2H), 2.12 (s, 3H).

Sources & evidence

ORD record: ord-1f5af27c584944099519c01ab8c73eb7
Source dataset: uspto-grants-2007_02
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07179896B2

Reaction notes

Loading…