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Ethyl Acetate → HCID 131736705, 화합물

HRID 1482372
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HRID 1482372 반응식
C(=O)(OC1C=CC([N+]([O-])=O)=CC=1)O[CH2:3][C:4]1C=C[CH:7]=[CH:6][C:5]=1[N:10]=[N+:11]=[N-:12].[NH2:24][C@@H:25]([CH2:36][S:37][S:38][C:39]([CH3:42])([CH3:41])[CH3:40])[C:26]([NH:28][CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)=[O:27].C(=O)(O)[O-].[Na+].[C:48]([O:51][CH2:52][CH3:53])(=[O:50])C>O1CCOCC1.O>[CH2:29]([NH:28][C:26](=[O:27])[C@@H:25]([NH:24][C:48](=[O:50])[O:51][CH2:52][C:53]1[CH:7]=[CH:6][C:5]([N:10]=[N+:11]=[N-:12])=[CH:4][CH:3]=1)[CH2:36][S:37][S:38][C:39]([CH3:42])([CH3:41])[CH3:40])[C:30]1[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=1
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참가 물질

7

반응물 4

HCID 8857Ethyl AcetateHCID 516892Sodium BicarbonateHCID 896684972-Azidobenzyl (4-nitrophenyl) carbonateHCID 89668511HCID 89668511, 화합물

생성물 1

HCID 131736705HCID 131736705, 화합물수율 65%

시약·촉매·용매 2

HCID 962Water
용매
HCID 312751,4-Dioxane용매

실험 절차

2-Azidobenzyl (4-nitrophenyl) carbonate (168 mg, 0.534 mmol) was added to a suspension of (R)-2-amino-N-benzyl-3-(tert-butyldisulfanyl)propanamide (Compound tk93) (145 mg, 0.486 mmol) and sodium bicarbonate (102 mg, 1.215 mmol) in 1,4-dioxane (2 mL) at room temperature. The reaction mixture was stirred at the same temperature for 15.5 hours, followed by addition of ethyl acetate and water. The resulting mixture was extracted with ethyl acetate, and the organic phase was washed with water (5 mL×2) and brine (5 mL) and dried over sodium sulfate. Following concentration under reduced pressure, the resulting residue was purified by normal-phase silica gel column chromatography (hexane/ethyl acetate) and then purified by reverse-phase silica gel column chromatography (0.05% aqueous trifluoroacetic-acid solution/0.05% trifluoroacetic acid-acetonitrile solution) to afford (R)-4-azidobenzyl (1-(benzylamino)-3-(tert-butyldisulfanyl)-1-oxopropan-2-yl)carbamate (Compound tk95) (148.9 mg, 65%).

후처리

  1. extractionThe resulting mixture was extracted with ethyl acetate
  2. washthe organic phase was washed with water (5 mL×2) and brine (5 mL)
  3. dry with materialdried over sodium sulfate
  4. concentrationconcentration under reduced pressure
  5. customthe resulting residue was purified by normal-phase silica gel column chromatography (hexane/ethyl acetate)
  6. custompurified by reverse-phase silica gel column chromatography (0.05% aqueous trifluoroacetic-acid solution/0.05% trifluoroacetic acid-acetonitrile solution)

출처 및 근거

ORD 기록
ord-032638e9c3c942d18d0424def6647a73
출처 데이터셋
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09409952B2

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