HCID 9860783, compound → HCID 71262181, compound

HRID 540072Notes

Reaction equation

HRID 540072 reaction equation
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([CH3:12])[CH:10]=2)[N:5]=[C:4]([N:13]2[CH2:19][C:18]3[CH:20]=[CH:21][CH:22]=[CH:23][C:17]=3[S:16](=[O:25])(=[O:24])[CH2:15][CH2:14]2)[CH:3]=1.[O:26]1[CH2:31][CH2:30][NH:29][C@H:28]2[CH2:32][NH:33][CH2:34][C@@H:27]12>>[O:26]1[CH2:31][CH2:30][NH:29][C@H:28]2[CH2:32][N:33]([C:2]3[C:11]4[C:6](=[CH:7][CH:8]=[C:9]([CH3:12])[CH:10]=4)[N:5]=[C:4]([N:13]4[CH2:19][C:18]5[CH:20]=[CH:21][CH:22]=[CH:23][C:17]=5[S:16](=[O:25])(=[O:24])[CH2:15][CH2:14]4)[CH:3]=3)[CH2:34][C@@H:27]12

Participants

3

Reactant 2

HCID 9860783HCID 9860783, compoundHCID 712545984-(4-Chloro-6-methylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide

Product 1

HCID 71262181HCID 71262181, compound

Procedure

The title compound was prepared in analogy to Example 8-1 in Scheme 5 by using 4-(4-chloro-6-methylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide (prepared in analogy to the one in Example 2-1) and (4aS,7aR)-octahydropyrrolo[3,4-b][1,4]oxazine. MS obsd. (ESI+) [(M+H)+] 465, 1H NMR (400 MHz, CD3OD) δ ppm 7.99 (dd, J=7.83, 1.26 Hz, 1 H), 7.85 (d, J=7.33 Hz, 1 H), 7.81 (s, 1 H), 7.63 (td, J=7.52, 1.39 Hz, 1 H), 7.50-7.41 (m, 2 H), 7.28 (dd, J=8.59, 1.77 Hz, 1 H), 6.09 (s, 1 H), 5.16 (s, 2 H), 4.51 (m, 2 H), 4.02-4.15 (m, 3 H), 3.86 (d, J=10.8 Hz, 1 H), 3.68-3.47 (m, 6 H), 3.238 (m, 1 H), 2.72 (m, 1 H), 2.41 (s, 3 H).

Sources & evidence

ORD record
ord-fe6eb2b7a7e4456e979a7a63027a8da0
Source dataset
uspto-grants-2014_10
Patent number
US08871756B2

Reaction notes

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