1-tert-Butyloxycarbonyl-4-(3-aminopropyl)piperazine → {2-[5-Chloro-2-(3-piperazin-1-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophen-6-yl}-morpholin-4-ylmethanone tri-hydrochloride

HRID 1986236Notes

Reaction equation

HRID 1986236 reaction equation
[ClH:1].Cl.Cl.C1(NC(C2C3C=C(C4C([Cl:25])=CN=C([NH:26][CH2:27][CH2:28][CH2:29][N:30]5[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]5)N=4)SC=3C=CC=2)=O)CC1.[Cl:36][C:37]1[N:42]=[C:41]([C:43]2[S:47][C:46]3[CH:48]=[C:49]([C:52]([N:54]4[CH2:59][CH2:58][O:57][CH2:56][CH2:55]4)=[O:53])[CH:50]=[CH:51][C:45]=3[CH:44]=2)[C:40]([Cl:60])=[CH:39][N:38]=1.C(OC(N1CCN(CCCN)CC1)=O)(C)(C)C>>[ClH:25].[ClH:36].[ClH:1].[Cl:60][C:40]1[C:41]([C:43]2[S:47][C:46]3[CH:48]=[C:49]([C:52]([N:54]4[CH2:59][CH2:58][O:57][CH2:56][CH2:55]4)=[O:53])[CH:50]=[CH:51][C:45]=3[CH:44]=2)=[N:42][C:37]([NH:26][CH2:27][CH2:28][CH2:29][N:30]2[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]2)=[N:38][CH:39]=1

Participants

4

Reactant 3

HCID 177509451-tert-Butyloxycarbonyl-4-(3-aminopropyl)piperazineHCID 688588082-[5-Chloro-2-(3-piperazin-1-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide tri-hydrochlorideHCID 86625368[2-(2,5-Dichloropyrimidin-4-yl)-benzo[b]thiophen-6-yl]-morpholin-4-yl-methanone

Product 1

HCID 68854855{2-[5-Chloro-2-(3-piperazin-1-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophen-6-yl}-morpholin-4-ylmethanone tri-hydrochloride

Procedure

Using the method of 2-[5-chloro-2-(3-piperazin-1-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide tri-hydrochloride, the title compound is synthesized from [2-(2,5-dichloropyrimidin-4-yl)-benzo[b]thiophen-6-yl]-morpholin-4-yl-methanone and 4-(3-aminopropyl)-piperazine-1-carboxylic acid tert-butyl ester and isolated as a yellow solid. ES+(m/z) 501 (35Cl) and 503 (37Cl) [M+H].

Workup

  1. customisolated as a yellow solid

Sources & evidence

ORD record
ord-fc216141a5134b5ba6052f6eb1e5cce7
Source dataset
uspto-grants-2009_06
Patent number
US07547691B2

Reaction notes

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