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Acetic Acid → HCID 178454384, 화합물

HRID 1774391
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HRID 1774391 반응식
C(NC(C)C)(C)C.[CH2:8]([O:15][C:16]([CH2:18][C@H:19]1[CH2:24][CH2:23][C@H:22]([O:25][Si:26]([C:29]([CH3:32])([CH3:31])[CH3:30])([CH3:28])[CH3:27])[CH2:21][CH2:20]1)=[O:17])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[CH3:33][CH:34]([CH3:47])[C:35](=[O:46])[C:36]([O:38][CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)=[O:37].C(O)(=O)C>O1CCCC1.CCCCCC.C(OCC)(=O)C>[Si:26]([O:25][C@H:22]1[CH2:23][CH2:24][C@H:19]([CH:18]([C:16]([O:15][CH2:8][C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)=[O:17])[C:35]([OH:46])([CH:34]([CH3:33])[CH3:47])[C:36]([O:38][CH2:39][C:40]2[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=2)=[O:37])[CH2:20][CH2:21]1)([C:29]([CH3:32])([CH3:31])[CH3:30])([CH3:28])[CH3:27]
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참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 7912DiisopropylamineHCID 11160044Benzyl 3-methyl-2-oxobutanoateHCID 178455316HCID 178455316, 화합물

생성물 1

HCID 178454384HCID 178454384, 화합물수율 29%

시약·촉매·용매 2

HCID 8028Tetrahydrofuran
용매
3회
HCID 21226206Ethyl acetate hexane용매

반응 조건

온도
-78 °C

실험 절차

To a solution of diisopropylamine (418 mg, 4.15 mmol) in anhydrous tetrahydrofuran (6 mL) under the atmosphere of argon was added a 1.58 M n-butyl lithium-hexane solution (2.5 mL, 5.4 mmol) with stirring under ice cooling, and the mixture was stirred at 0° C. for 10 min, and then at −78° C. for 5 min. A solution of trans-4-benzyloxycarbonylmethyl-1-t-butyldimethylsilyloxycyclohexan (1.36 g, 3.76 mmol) in anhydrous tetrahydrofuran (7 mL) was added dropwise at the same temperature over 7 min, and the reaction mixture was further stirred for 15 min. The cold enolate solution thus prepared was added dropwise via canula to a solution of benzyl 3-methyl-2-ketobutyrate (776 mg, 3.76 mmol) in anhydrous tetrahydrofuran (4 mL) having been cooled to −78° C. After stirring at −78° C. for 1 h, the reaction mixture was adjusted to pH 4 with acetic acid, and the temperature was raised to room temperature. The reaction solvent was evaporated under reduced pressure, and the residue was diluted with ethyl acetate and water to separate the phases for extraction. The aqueous layer was extracted again with ethyl acetate, and the combined organic layer was concentrated under reduced pressure and the residue thus obtained was subjected to silica gel column chromatography (hexane-ethyl acetate 20:1) to give dibenzyl 3-(trans-4-t-butyldimethylsilyloxycyclohexyl)-2-hydroxy-2-isopropylsuccinate as oil in amounts of 629 mg (low polar diastereomer, yield: 29%) and 801 mg (high polar diastereomer, yield: 37%), respectively.

후처리

  1. stirringthe mixture was stirred at 0° C. for 10 min
  2. stirringthe reaction mixture was further stirred for 15 min
  3. stirringAfter stirring at −78° C. for 1 h
  4. temperaturethe temperature was raised to room temperature
  5. customThe reaction solvent was evaporated under reduced pressure
  6. additionthe residue was diluted with ethyl acetate and water
  7. customto separate the phases
  8. extractionfor extraction
  9. extractionThe aqueous layer was extracted again with ethyl acetate
  10. concentrationthe combined organic layer was concentrated under reduced pressure
  11. customthe residue thus obtained

출처 및 근거

ORD 기록
ord-b5c199378abf46148ce4cb11a133af2a
출처 데이터셋
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09260375B2

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