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Triethylamine → HCID 118160616, 화합물

HRID 1048868
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HRID 1048868 반응식
[C:1]([O:5][C:6]([N:8]1[C:12]([CH2:13][C@H:14]([NH:18][C:19](=[O:30])[CH2:20][CH2:21][NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[C:15](O)=[O:16])=[CH:11][N:10]=[CH:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:31]([NH:34][C@@H:35]([CH2:39][SH:40])[C:36]([NH2:38])=[O:37])(=[O:33])[CH3:32].C(N(CC)CC)C.CCCP(=O)=O.CCOC(C)=O.C([O-])(O)=O.[Na+]>C1COCC1.CCOC(C)=O>[C:31]([NH:34][C@H:35]([C:36]([NH2:38])=[O:37])[CH2:39][S:40][C:15](=[O:16])[C@@H:14]([NH:18][C:19](=[O:30])[CH2:20][CH2:21][NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:13][C:12]1[N:8]([C:6]([O:5][C:1]([CH3:3])([CH3:4])[CH3:2])=[O:7])[CH:9]=[N:10][CH:11]=1)(=[O:33])[CH3:32]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 516892Sodium BicarbonateHCID 10176265N-Acetylcysteine amideHCID 16167369Propylphosphoric anhydrideHCID 89932196HCID 89932196, 화합물

생성물 1

HCID 118160616
HCID 118160616, 화합물
수율 74.3%

시약·촉매·용매 1

HCID 21939870Tetrahydrofuran ethyl acetate용매

실험 절차

To a stirring suspension at room temperature under N2 of (S)-3-(1-(tert-butoxycarbonyl)-1H-imidazol-5-yl)-2-(3-(tert-butoxycarbonylamino)propanamido)propanoic acid (45c, 35.74 g, 83.80 mmol) and (R)-2-acetamido-3-mercaptopropanamide (45b, 13.59 g, 83.78 mmol) in 500 mL of THF:EtOAc (1:1) was added dropwise triethylamine (26 mL, 186 mmol). After addition, the suspension was stirred for 15 minutes then propylphosphonic anhydride, 50 wt. % solution in EtOAc (55 mL, 92 mmol) was added dropwise. The resultant cloudy solution was stirred at room temperature for 2 h then saturated NaHCO3 solution (˜500 mL) was added. The layers were separated and the organic extract was washed with saturated KH2PO4 and then saturated NaCl solution. The aqueous phases were back extracted (in the same order) with fresh EtOAc (2×500 mL). The combined organic extracts were dried using MgSO4, filtered, concentrated and chromatographed twice (silica gel, 50% THF in EtOAc) to give 35.53 g (74%) of tert-butyl 5-((S)-3-((R)-2-acetamido-3-amino-3-oxopropylthio)-2-(3-(tert-butoxycarbonylamino)propanamido)-3-oxopropyl)-1H-imidazole-1-carboxylate (45d) as white foamy solid. MS (APCI) m/z 571 [M+H]+.

후처리

  1. additionAfter addition
  2. stirringThe resultant cloudy solution was stirred at room temperature for 2 h
  3. customThe layers were separated
  4. extractionthe organic extract
  5. washwas washed with saturated KH2PO4
  6. extractionThe aqueous phases were back extracted (in the same order) with fresh EtOAc (2×500 mL)
  7. customThe combined organic extracts were dried
  8. filtrationfiltered
  9. concentrationconcentrated
  10. customchromatographed twice (silica gel, 50% THF in EtOAc)

출처 및 근거

ORD 기록
ord-38c221fc2d3b4e1cafbfb9cb3a65efd5
출처 데이터셋
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09382211B2

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