1,3-Propanediamine → HCID 71514332, compound

HRID 540188Notes

Reaction equation

HRID 540188 reaction equation
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([CH:12]=[CH2:13])[CH:10]=2)[N:5]=[C:4]([N:14]2[CH2:20][C:19]3[CH:21]=[CH:22][CH:23]=[CH:24][C:18]=3[S:17](=[O:26])(=[O:25])[CH2:16][CH2:15]2)[CH:3]=1.[CH2:27]([NH2:31])[CH2:28][CH2:29][NH2:30]>>[O:25]=[S:17]1(=[O:26])[C:18]2[CH:24]=[CH:23][CH:22]=[CH:21][C:19]=2[CH2:20][N:14]([C:4]2[CH:3]=[C:2]([NH:30][CH2:29][CH2:28][CH2:27][NH2:31])[C:11]3[C:6](=[CH:7][CH:8]=[C:9]([CH:12]=[CH2:13])[CH:10]=3)[N:5]=2)[CH2:15][CH2:16]1

Participants

3

Reactant 2

HCID 4281,3-PropanediamineHCID 86691399HCID 86691399, compound

Product 1

HCID 71514332HCID 71514332, compound

Procedure

The title compound was prepared in analogy to Example 52 in Scheme 22 by using 4-(4-chloro-6-ethenylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide and propane-1,3-diamine. MS obsd. (ESI+) [(M+H)+] 423, 1H NMR (400 MHz, CD3OD) δ ppm 8.12 (s, 1 H), 8.05-8.02 (q, J=8 Hz, 1 H), 7.89-7.81 (m, 2 H), 7.77-7.70 (m, 2 H), 7.56-7.54 (t, J=4.4 Hz, 1 H), 6.80-6.74 (m, 1 H), 5.95-5.90 (m, 2 H), 5.36-5.30 (m, 3 H), 4.51 (s, 2 H), 3.71 (s, 2 H), 3.61-3.60 (t, J=3.2 Hz, 2 H), 3.11-3.10 (t, J=5.2 Hz, 2 H), 2.13-2.11 (t, J=5.6 Hz, 2 H).

Sources & evidence

ORD record
ord-5c97d7fae1eb49d6bbd44cd391de3b5c
Source dataset
uspto-grants-2014_10
Patent number
US08871756B2

Reaction notes

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