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Water → (4R)-1-(tert-Butoxycarbonyl)-4-[(6-methoxy-7-vinylisoquinolin-1-yl)oxy]-proline

HRID 2045705
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HRID 2045705 반응식
Br[C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[CH:7][N:8]=[C:9]2[O:12][C@H:13]2[CH2:17][N:16]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[C@H:15]([C:25]([OH:27])=[O:26])[CH2:14]2)=[CH:4][C:3]=1[O:28][CH3:29].[CH:30]([B-](F)(F)F)=[CH2:31].[K+].CCOC(C)=O.O>CCO.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(Cl)Cl>[C:21]([O:20][C:18]([N:16]1[CH2:17][C@H:13]([O:12][C:9]2[C:10]3[C:5](=[CH:4][C:3]([O:28][CH3:29])=[C:2]([CH:30]=[CH2:31])[CH:11]=3)[CH:6]=[CH:7][N:8]=2)[CH2:14][C@H:15]1[C:25]([OH:27])=[O:26])=[O:19])([CH3:22])([CH3:24])[CH3:23]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 962WaterHCID 8857Ethyl AcetateHCID 23679353Potassium vinyltrifluoroborateHCID 58005163(4R)-4-[(7-bromo-6-methoxyisoquinolin-1-yl)oxy]-1-(tert-butoxycarbonyl)-L-proline

생성물 1

HCID 66897051(4R)-1-(tert-Butoxycarbonyl)-4-[(6-methoxy-7-vinylisoquinolin-1-yl)oxy]-proline

시약·촉매·용매 2

HCID 178418807
HCID 178418807, 화합물
촉매
HCID 702Ethanol용매

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온도
100 °C

실험 절차

TEA (0.24 mL, 1.70 mmol) was added to a solution of (4R)-4-[(7-bromo-6-methoxyisoquinolin-1-yl)oxy]-1-(tert-butoxycarbonyl)-L-proline (560 mg, 1.13 mmol) in EtOH (30 mL). Potassium vinyltrifluoroborate (227 mg, 1.70 mmol) and PdCl2(dppf)-CH2Cl2 adduct (46 mg, 0.06 mmol) were then added, and the reaction mixture was stirred at 100° C. for 18 h. The reaction mixture was worked up with EtOAc and water, and the layers were separated. The organic layer was washed with brine, dried over MgSO4, filtered and concentrated. The crude material was purified on silica (40% EtOAc/hexanes) to yield the title compound as an oil. LRMS (M+H)+=443.4.

후처리

  1. customthe layers were separated
  2. washThe organic layer was washed with brine
  3. dry with materialdried over MgSO4
  4. filtrationfiltered
  5. concentrationconcentrated
  6. customThe crude material was purified on silica (40% EtOAc/hexanes)

출처 및 근거

ORD 기록
ord-ad212ec02b2d46d4b081821a780c8b79
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08591878B2

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