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Sodium Carbonate → HCID 11618006, 화합물

HRID 1445869
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HRID 1445869 반응식
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]([CH3:21])=[C:11]([CH2:13][CH2:14][N:15]3[CH2:19][CH2:18][CH2:17][C@H:16]3[CH3:20])[N:12]=2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Na+].[Na+].[C:28]([C:31]1[CH:36]=[CH:35][C:34](B(O)O)=[CH:33][CH:32]=1)(=[O:30])[CH3:29]>C1(C)C=CC=CC=1.O.C(O)C.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[CH3:21][C:10]1[O:9][C:8]([C:5]2[CH:6]=[CH:7][C:2]([C:34]3[CH:35]=[CH:36][C:31]([C:28](=[O:30])[CH3:29])=[CH:32][CH:33]=3)=[CH:3][CH:4]=2)=[N:12][C:11]=1[CH2:13][CH2:14][N:15]1[CH2:19][CH2:18][CH2:17][C@H:16]1[CH3:20]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 3

HCID 10340Sodium CarbonateHCID 37021224-Acetylphenylboronic acidHCID 11530378HCID 11530378, 화합물

생성물 1

HCID 11618006HCID 11618006, 화합물수율 56%

시약·촉매·용매 4

HCID 11979704Tetrakis(triphenylphosphine)palladium촉매
HCID 702
Ethanol
용매
HCID 962Water용매
HCID 1140Toluene용매

실험 절차

To a stirred solution of 2-(4-Bromo-phenyl)-5-methyl-4-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-oxazole (100 mg, 0.287 munol), sodium carbonate (91 mg, 0.860 mmol) and 4-acetylphenyl boronic acid (235 mg, 1.43 mmol) in toluene (5 mL), water (1 mL) and ethanol (1.5 mL) under nitrogen is added Tetrakis (triphenylphosphine) palladium (0) (33.1 mg, 0.029 mmol). The reaction is heated at reflux for 48 h. The reaction is allowed to cool and bound to a SCX-2 cartridge (10 g). The cartridge is washed with one cartridge volumes of dimethylformamide and two volume of methanol. The product is eluted using 2M ammonia in methanol. The ammonia/methanol solution is evaporated on a Genevac® HT4. The sample is further purified by prep-LCMS. The resulting acetonitrile/water fractions are combined and evaporated using a Genevac® HT4 to give 62 mg of a colourless oil (56%). MS (m/e) 389.2 (M+1)

후처리

  1. temperatureThe reaction is heated
  2. temperatureat reflux for 48 h
  3. temperatureto cool
  4. washThe cartridge is washed with one cartridge volumes of dimethylformamide and two volume of methanol
  5. washThe product is eluted
  6. customThe ammonia/methanol solution is evaporated on a Genevac® HT4
  7. customThe sample is further purified by prep-LCMS
  8. customevaporated

출처 및 근거

ORD 기록
ord-a5cdbd9fdfef4eed92a95e8f55b6ca0e
출처 데이터셋
uspto-grants-2010_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07666871B2

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