5-Aminoisoquinoline → HCID 22032620, compound

HRID 887231Notes

Reaction equation

HRID 887231 reaction equation
[N:1]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])=[C:2]=[O:3].[CH:12]1[C:21]2[CH:20]=[CH:19][CH:18]=[C:17]([NH2:22])[C:16]=2[CH:15]=[CH:14][N:13]=1.BrC1C=CC(CN=C=O)=CC=1>>[CH:12]1[C:21]2[C:16](=[C:17]([NH:22][C:2]([NH:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])=[O:3])[CH:18]=[CH:19][CH:20]=2)[CH:15]=[CH:14][N:13]=1

Participants

4

Reactant 3

HCID 707665-AminoisoquinolineHCID 76616Octyl isocyanateHCID 43746174-Bromobenzyl isocyanate

Product 1

HCID 22032620HCID 22032620, compound

Procedure

The title compound was prepared using the procedure described in Example 60F using 1-isocyanatooctane and 5-isoquinolinamine instead of the product from Example 60E and 1-bromo-4-(isocyanatomethyl)benzene. NMR (DMSO-d6) δ 9.53 (s, 1H), 9.23 (s, 1H), 8.65 (d, 1H), 8.99 (d, 1H), 8.05 (d, 1H), 7.86 (t, 1H), 7.01 (m, 1H), 3.15 (m, 2H), 1.51 (m, 2H), 1.28 (m, 5H), 0.83 (m, 3H); MS (ESI) (M+H)+ 300.

Sources & evidence

ORD record
ord-69a5d44aec674339b9e608acaad8ad54
Source dataset
uspto-grants-2012_08
Patent number
US08247413B2

Reaction notes

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