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Fumaric Acid → (2S,4S,5S)-5-Amino-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanoic acid (2-carbamoyl-2-methylpropyl)amide fumarate

HRID 1694917
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HRID 1694917 반응식
[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]/[C:4]([OH:6])=[O:5].[C:9]([C:12]([CH3:44])([CH3:43])[CH2:13][NH:14][C:15](=[O:42])[C@H:16]([CH:39]([CH3:41])[CH3:40])[CH2:17][C@H:18]([OH:38])[C@@H:19]([NH2:37])[CH2:20][N:21]1[CH2:26][C:25](=[O:27])[N:24]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[CH3:34])[CH2:23][C:22]1([CH3:36])[CH3:35])(=[O:11])[NH2:10]>[Cl-].[Na+].O.CO>[C:1]([OH:8])(=[O:7])/[CH:2]=[CH:3]/[C:4]([OH:6])=[O:5].[C:9]([C:12]([CH3:43])([CH3:44])[CH2:13][NH:14][C:15](=[O:42])[C@H:16]([CH:39]([CH3:40])[CH3:41])[CH2:17][C@H:18]([OH:38])[C@@H:19]([NH2:37])[CH2:20][N:21]1[CH2:26][C:25](=[O:27])[N:24]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[CH3:34])[CH2:23][C:22]1([CH3:36])[CH3:35])(=[O:11])[NH2:10]
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참가 물질

5

반응물 2

HCID 444972Fumaric AcidHCID 66645756HCID 66645756, 화합물

생성물 1

HCID 66645755(2S,4S,5S)-5-Amino-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanoic acid (2-carbamoyl-2-methylpropyl)amide fumarate수율 67%

시약·촉매·용매 2

HCID 887Methanol용매HCID 57417360
Sodium chloride; water
용매

실험 절차

196 mg of cesium carbonate (0.6 mmol) was added to a solution of 345 mg of (2S,4S,5S)-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropyl-5-(2-nitrobenzenesulfonylamino)hexanoic acid (2-carbamoyl-2-methylpropyl)amide obtained in the above reaction (0.5 mmol) and 0.15 ml of thiophenol (content: 95%) (1.5 mmol) in N,N-dimethylformamide (5 ml) under a nitrogen atmosphere at room temperature, and the mixture was stirred at the same temperature for four hours. Brine was added to the reaction mixture, followed by extraction with methylene chloride. Then, the organic layer was dried over anhydrous sodium sulfate. After filtration, the solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography (elution solvent:methylene chloride/methanol/triethylamine=20/1/0-10/1/0-100/10/1). 38.7 mg of fumaric acid (0.33 mmol) was added to a solution of 168 mg of (2S,4S,5S)-5-amino-6-(2,2-dimethyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl)-4-hydroxy-2-isopropylhexanoic acid (2-carbamoyl-2-methylpropyl)amide obtained above (0.33 mmol) in methanol (3 ml), and the mixture was stirred at room temperature for five minutes. The reaction mixture was concentrated under reduced pressure, and methylene chloride (2 ml) was added to the residue. Diethyl ether (5 ml) was further added and the solid was collected by filtration to obtain 132 mg of the title compound (yield: 67%).

후처리

  1. extractionfollowed by extraction with methylene chloride
  2. dry with materialThen, the organic layer was dried over anhydrous sodium sulfate
  3. filtrationAfter filtration
  4. customthe solvent was evaporated under reduced pressure
  5. customthe residue was purified by silica gel column chromatography (elution solvent:methylene chloride/methanol/triethylamine=20/1/0-10/1/0-100/10/1)
  6. stirringthe mixture was stirred at room temperature for five minutes
  7. concentrationThe reaction mixture was concentrated under reduced pressure, and methylene chloride (2 ml)
  8. additionwas added to the residue
  9. additionDiethyl ether (5 ml) was further added
  10. filtrationthe solid was collected by filtration

출처 및 근거

ORD 기록
ord-734b5befccbe4389bfb5b5cd197a4a37
출처 데이터셋
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08158790B2

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