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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Isopropanol → 2-(4-((4-(((7R,8aS)-5,5-dimethyloctahydroindolizin-7-yl)amino)-5-fluoropyrimidin-2-yl)amino)-2-fluorophenoxy)ethan-1-ol

HRID 633439
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HRID 633439 반응식
[F:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][CH:8]=1)[NH2:5].Cl.Cl[C:11]1[N:16]=[C:15]([NH:17][C@@H:18]2[CH2:26][C@H:25]3[N:21]([CH2:22][CH2:23][CH2:24]3)[C:20]([CH3:28])([CH3:27])[CH2:19]2)[C:14]([F:29])=[CH:13][N:12]=1.CC1C=CC(S(O)(=O)=[O:38])=CC=1.O.C[CH:43]([OH:45])[CH3:44]>>[CH3:27][C:20]1([CH3:28])[CH2:19][C@H:18]([NH:17][C:15]2[C:14]([F:29])=[CH:13][N:12]=[C:11]([NH:5][C:4]3[CH:6]=[CH:7][C:8]([O:38][CH2:44][CH2:43][OH:45])=[C:2]([F:1])[CH:3]=3)[N:16]=2)[CH2:26][C@H:25]2[N:21]1[CH2:22][CH2:23][CH2:24]2
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 3776IsopropanolHCID 97423-FluoroanilineHCID 521998p-Toluenesulfonic acid monohydrateHCID 86704489(7R,8aS)-N-(2-chloro-5-fluoropyrimidin-4-yl)-octahydro-5,5-dimethylindolizin-7-amine hydrochloride

생성물 1

HCID 718113182-(4-((4-(((7R,8aS)-5,5-dimethyloctahydroindolizin-7-yl)amino)-5-fluoropyrimidin-2-yl)amino)-2-fluorophenoxy)ethan-1-ol수율 33%

실험 절차

The general displacement procedure described herein was used with 4-(2-((tert-butyldimethyl)silyl)oxy)ethoxy)-3-fluoroaniline (285 mg, 1.0 mmol), (7R,8aS)-N-(2-chloro-5-fluoropyrimidin-4-yl)-octahydro-5,5-dimethylindolizin-7-amine hydrochloride (336 mg, 1.0 mmol) and pTsOH.H2O (381 mg, 2.0 mmol) in IPA (10 mL) at reflux to give the product (143 mg, 33% yield) as a solid, after workup and purification by column chromatography on silica gel using DCM/2M NH3 in MeOH (1:0 to 9:1) as eluent.

후처리

  1. temperatureat reflux

출처 및 근거

ORD 기록
ord-e644b3ce737641cd8fecb28cc1e175b4
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09321763B2

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