홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Cesium carbonate → 3-(1-{[3-(cyclopentylamino)propyl]sulfonyl}-4-piperidinyl)-5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide

HRID 2267550
노트
인쇄 미리보기

반응식

HRID 2267550 반응식
N1(CCS(N2CCC(C3[C:25]4[C:20](=[C:21]([C:31](N)=[O:32])[CH:22]=[C:23](C5C=CSC=5)[CH:24]=4)NC=3)CC2)(=O)=O)CCCC1.Br[C:35]1[CH:36]=[C:37]2[C:41](=[C:42]([C:44]([NH2:46])=[O:45])[CH:43]=1)[NH:40][CH:39]=[C:38]2[CH:47]1[CH2:52][CH2:51][N:50]([S:53]([CH2:56][CH2:57][CH2:58][NH:59][CH:60]2[CH2:64][CH2:63][CH2:62][CH2:61]2)(=[O:55])=[O:54])[CH2:49][CH2:48]1.OCC1C=C(B(O)O)C=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH:60]1([NH:59][CH2:58][CH2:57][CH2:56][S:53]([N:50]2[CH2:49][CH2:48][CH:47]([C:38]3[C:37]4[C:41](=[C:42]([C:44]([NH2:46])=[O:45])[CH:43]=[C:35]([C:25]5[CH:24]=[CH:23][CH:22]=[C:21]([CH2:31][OH:32])[CH:20]=5)[CH:36]=4)[NH:40][CH:39]=3)[CH2:52][CH2:51]2)(=[O:54])=[O:55])[CH2:64][CH2:63][CH2:62][CH2:61]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 10796Cesium carbonateHCID 2734662[3-(Hydroxymethyl)phenyl]boronic acidHCID 116200533-(1-{[2-(1-pyrrolidinyl)ethyl]sulfonyl}-4-piperidinyl)-5-(3-thienyl)-1H-indole-7-carboxamideHCID 590033255-bromo-3-(1-{[3-(cyclopentylamino)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide

생성물 1

HCID 59003357
3-(1-{[3-(cyclopentylamino)propyl]sulfonyl}-4-piperidinyl)-5-[3-(hydroxymethyl)phenyl]-1H-indole-7-carboxamide
수율 34%

시약·촉매·용매 1

HCID 178418397HCID 178418397, 화합물촉매

실험 절차

The title compound was prepared according to the general procedure for intermediate 16. Thus, 5-bromo-3-(1-{[3-(cyclopentylamino)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide (46 mg, 0.09 mmol), [3-(hydroxymethyl)phenyl]boronic acid (55 mg, 0.36 mmol), Pd(PPh3)4 (10 mg, 10%) and cesium carbonate (117 mg, 0.36 mmol) were heated in microwave at 160° C. for 40 min to yield the desired product (16.5 mg, 34%), which was purified by reverse phase HPLC eluting with 10% B to 80% B, where A=H2O (0.1% trifluoroacetic acid) and B=CH3CN (0.1% trifluoroacetic acid)

후처리

  1. customThe title compound was prepared

출처 및 근거

ORD 기록
ord-bf0d75d20ca54fedb6f27db6ea0cb6a8
출처 데이터셋
uspto-grants-2010_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07858796B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트