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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1,2-Dimethoxyethane → (R)-4-((R)-1-(3-methyl-6-(4-(piperazin-1-yl)phenyl)-3H-imidazo[4,5-c]pyridin-4-yloxy)ethyl)pyrrolidin-2-one

HRID 2209046
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HRID 2209046 반응식
Cl[C:2]1[N:7]=[C:6]([O:8][C@@H:9]([C@H:11]2[CH2:15][NH:14][C:13](=[O:16])[CH2:12]2)[CH3:10])[C:5]2[N:17]([CH3:20])[CH:18]=[N:19][C:4]=2[CH:3]=1.O[C@@H]([C@H]1CN([C@@H]([C:31]2[CH:36]=[CH:35][C:34](OC)=[CH:33][CH:32]=2)C)C(=O)C1)C.B(O)O.C(=O)([O-])[O-].[Cs+].[Cs+].CO[CH2:51][CH2:52]OC>O>[CH3:20][N:17]1[C:5]2[C:6]([O:8][C@@H:9]([C@H:11]3[CH2:15][NH:14][C:13](=[O:16])[CH2:12]3)[CH3:10])=[N:7][C:2]([C:31]3[CH:32]=[CH:33][C:34]([N:7]4[CH2:52][CH2:51][NH:17][CH2:5][CH2:6]4)=[CH:35][CH:36]=3)=[CH:3][C:4]=2[N:19]=[CH:18]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 80711,2-DimethoxyethaneHCID 10796Cesium carbonateHCID 61668Boronic AcidHCID 117843294(R)-4-((R)-1-((6-chloro-3-methyl-3H-imidazo[4,5-c]pyridin-4-yl)oxy)ethyl)pyrrolidin-2-oneHCID 117843967(R)-4-((R)-1-hydroxyethyl)-1-((R)-1-(4-methoxyphenyl)ethyl)pyrrolidin-2-one

생성물 1

HCID 117844142
(R)-4-((R)-1-(3-methyl-6-(4-(piperazin-1-yl)phenyl)-3H-imidazo[4,5-c]pyridin-4-yloxy)ethyl)pyrrolidin-2-one

시약·촉매·용매 1

HCID 962Water용매

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온도
100 °C

실험 절차

To an appropriate sized container charged with a magnetic stir bar, aryl halide 2.06, 2.58 or 2.62 (1 equiv), boronic acid or ester (1.2 equiv), cesium carbonate (3 equiv), and PEPPSI-IPr catalyst (0.1 equiv) were added and reagents were taken up in 2:1 DME:water. After evacuating and backfilling with argon, mixture was heated at 100° C. for one hour. After cooling to room temperature, mixture is poured into water and extracted with ethyl acetate. Combined organics were dried, filtered, and concentrated under reduced pressure and resulting residues were purified by silica gel column chromatography or reverse phase HPLC to yield Examples 3B.01-3B.31.

후처리

  1. additionTo an appropriate sized container charged with a magnetic stir bar
  2. customAfter evacuating
  3. temperatureAfter cooling to room temperature
  4. additionmixture is poured into water
  5. extractionextracted with ethyl acetate
  6. customCombined organics were dried
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customresulting residues
  10. customwere purified by silica gel column chromatography
  11. customto yield Examples 3B.01-3B.31

출처 및 근거

ORD 기록
ord-9152d15721ab47f2b83dc397703c2a28
출처 데이터셋
uspto-grants-2016_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09376441B2

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