1-Isocyanatoadamantane → HCID 59496630, compound

HRID 449366Notes

Reaction equation

HRID 449366 reaction equation
[N:1]([C:4]12[CH2:13][CH:8]3[CH2:9][CH:10]([CH2:12][CH:6]([CH2:7]3)[CH2:5]1)[CH2:11]2)=[C:2]=[O:3].Cl.[CH3:15][N:16]1[CH2:21][CH2:20][N:19]([C:22]2[CH:27]=[C:26]([C:28]3[CH:37]=[C:36]4[C:31]([CH2:32][CH2:33][NH:34][CH2:35]4)=[CH:30][CH:29]=3)[N:25]=[C:24]([NH2:38])[N:23]=2)[CH2:18][CH2:17]1>>[C:4]12([NH:1][C:2]([N:34]3[CH2:33][CH2:32][C:31]4[C:36](=[CH:37][C:28]([C:26]5[CH:27]=[C:22]([N:19]6[CH2:18][CH2:17][N:16]([CH3:15])[CH2:21][CH2:20]6)[N:23]=[C:24]([NH2:38])[N:25]=5)=[CH:29][CH:30]=4)[CH2:35]3)=[O:3])[CH2:13][CH:8]3[CH2:7][CH:6]([CH2:12][CH:10]([CH2:9]3)[CH2:11]1)[CH2:5]2

Participants

3

Reactant 2

HCID 20599951-IsocyanatoadamantaneHCID 675414894-(4-methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine HCl salt

Product 1

HCID 59496630HCID 59496630, compound

Procedure

This compound was prepared by using procedures analogous to those described for the synthesis of Example 5 starting from 1-isocyanatoadamantane (Aldrich, Cat. #375073) and 4-(4-methylpiperazin-1-yl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidin-2-amine HCl salt. Analytic LCMS (M+H)+: m/z=502.3.

Workup

  1. customThis compound was prepared

Sources & evidence

ORD record
ord-8ccb75ccb10340609f54e289c0189d0c
Source dataset
uspto-grants-2013_07
Patent number
US08481732B2

Reaction notes

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