Racemic 2-[5-Methyl-2-(3-piperidin-3-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide → Racemic 2-{5-Chloro-2-[3-(2-isopropylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

HRID 1986330노트

반응식

HRID 1986330 반응식
C1(NC(C2C3C=C(C4C(C)=CN=C(NCCCC5CCCNC5)N=4)SC=3C=CC=2)=O)CC1.[CH:33]1([NH:36][C:37]([C:39]2[C:47]3[CH:46]=[C:45]([C:48]4[C:53]([Cl:54])=[CH:52][N:51]=[C:50](Cl)[N:49]=4)[S:44][C:43]=3[CH:42]=[CH:41][CH:40]=2)=[O:38])[CH2:35][CH2:34]1.C(OC([N:63]1[CH2:68][CH2:67][N:66]([CH2:69][CH2:70][CH2:71][NH2:72])[CH:65]([CH:73]([CH3:75])[CH3:74])[CH2:64]1)=O)(C)(C)C>>[CH:33]1([NH:36][C:37]([C:39]2[C:47]3[CH:46]=[C:45]([C:48]4[C:53]([Cl:54])=[CH:52][N:51]=[C:50]([NH:72][CH2:71][CH2:70][CH2:69][N:66]5[CH2:67][CH2:68][NH:63][CH2:64][CH:65]5[CH:73]([CH3:75])[CH3:74])[N:49]=4)[S:44][C:43]=3[CH:42]=[CH:41][CH:40]=2)=[O:38])[CH2:35][CH2:34]1

참가 물질

4

반응물 3

HCID 68857359Racemic 2-[5-Methyl-2-(3-piperidin-3-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamideHCID 68857982Racemic 4-(3-aminopropyl)-3-isopropylpiperazine-1-carboxylic acid tert-butyl esterHCID 866253512-(2,5-Dichloropyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

생성물 1

HCID 68857879Racemic 2-{5-Chloro-2-[3-(2-isopropylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide

실험 절차

Using the method of racemic 2-[5-methyl-2-(3-piperidin-3-ylpropylamino)-pyrimidin-4-yl]-benzo[b]thiophene-4-carboxylic acid cyclopropylamide, the title compound is synthesized from 2-(2,5-dichloropyrimidin-4-yl)-benzo[b]thiophene-4-carboxylic acid cyclopropylamide and racemic 4-(3-aminopropyl)-3-isopropylpiperazine-1-carboxylic acid tert-butyl ester and isolated as a solid. ES+(m/z) 513 (35Cl) and 515 (37Cl) [M+H].

후처리

  1. customisolated as a solid

출처 및 근거

ORD 기록
ord-32196efdb52f43d0b29469559d0bf5e0
출처 데이터셋
uspto-grants-2009_06
특허 번호
US07547691B2

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