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1,2-Dimethoxyethane → 7-bromo-2-(1-methyl-1H-pyrazol-4-yl)quinoxaline

HRID 927315
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HRID 927315 반응식
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8](Cl)=[N:9]2)=[CH:4][CH:3]=1.[CH3:13][N:14]1[CH:18]=[C:17](B2OC(C)(C)C(C)(C)O2)[CH:16]=[N:15]1.C(=O)([O-])[O-].[Na+].[Na+].COCCOC>O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8]([C:17]3[CH:16]=[N:15][N:14]([CH3:13])[CH:18]=3)=[N:9]2)=[CH:4][CH:3]=1
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참가 물질

8

반응물 4

HCID 80711,2-DimethoxyethaneHCID 10340Sodium CarbonateHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole2회HCID 49132537-Bromo-2-chloroquinoxaline

생성물 1

HCID 578432587-bromo-2-(1-methyl-1H-pyrazol-4-yl)quinoxaline수율 89.4%

시약·촉매·용매 3

HCID 11776
Triphenylphosphine
촉매
HCID 167845palladium(II) acetate촉매
HCID 962Water용매2회

실험 절차

7-bromo-2-chloro-quinoxaline (502 g; 2.06 mol), 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (450.42 g; 2.16 mol), triphenylphosphine (10.82 g; 0.041 mol) and palladium(II)acetate were added to a mixture of sodium carbonate (240.37 g; 2.267 mol), 1,2-dimethoxyethane (5.48 L) and water (1.13 L). The reaction mixture was stirred at reflux for 20 hours, then 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (42.9 g; 0.206 mol) was added and the reaction mixture refluxed until complete conversion (4 hours). The reaction mixture was poured out in water, stirred for 2 hours at room temperature, filtered and the precipitate was washed with water. The precipitate was then triturated in methanol and filtered. The precipitate was washed with methanol and dried to give 532.2 g (89%) of 7-Bromo-2-(1-methyl-1H-pyrazol-4-yl)-quinoxaline (off-white powder).

후처리

  1. temperatureat reflux for 20 hours
  2. temperaturethe reaction mixture refluxed until complete conversion (4 hours)
  3. stirringstirred for 2 hours at room temperature
  4. filtrationfiltered
  5. washthe precipitate was washed with water
  6. customThe precipitate was then triturated in methanol
  7. filtrationfiltered
  8. washThe precipitate was washed with methanol
  9. customdried

출처 및 근거

ORD 기록
ord-fee35952035745d294326b1310caa1d1
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09290478B2

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