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Acetic Acid → HCID 136377186, 화합물

HRID 1027306
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HRID 1027306 반응식
[CH2:1]1[C@@H:5]2[CH2:6][NH:7][CH2:8][C@@H:4]2[CH2:3][N:2]1[C:9]1[N:14]=[N:13][C:12]([C:15]2[CH:20]=[CH:19][C:18]([C:21]3[CH:22]=[N:23][NH:24][CH:25]=3)=[CH:17][C:16]=2[OH:26])=[CH:11][CH:10]=1.[Si:27]([O:34][CH2:35][CH:36]=O)([C:30]([CH3:33])([CH3:32])[CH3:31])([CH3:29])[CH3:28].[Na].C(O)(=O)C>C(Cl)Cl>[Si:27]([O:34][CH2:35][CH2:36][N:7]1[CH2:6][C@@H:5]2[CH2:1][N:2]([C:9]3[N:14]=[N:13][C:12]([C:15]4[CH:20]=[CH:19][C:18]([C:21]5[CH:22]=[N:23][NH:24][CH:25]=5)=[CH:17][C:16]=4[OH:26])=[CH:11][CH:10]=3)[CH2:3][C@@H:4]2[CH2:8]1)([C:30]([CH3:33])([CH3:32])[CH3:31])([CH3:29])[CH3:28]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 41877882-((Tert-butyldimethylsilyl)oxy)acetaldehydeHCID 5360545SodiumHCID 136377184HCID 136377184, 화합물

생성물 1

HCID 136377186HCID 136377186, 화합물수율 51%

시약·촉매·용매 1

HCID 6344Dichloromethane
용매

실험 절차

To a solution of 2-(6-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol (31.4 mg, 0.09 mmol), 2-((tert-butyldimethylsilyl)oxy)acetaldehyde (47.1 mg, 0.270 mmol), and sodium triacetoxyhydroborate (57.2 mg, 0.270 mmol) in CH2Cl2 (2 mL), was added acetic acid (0.013 mL, 0.225 mmol). The reaction mixture was stirred at RT overnight, then quenched with water and diluted with DCM. The organic layer was acidified with 1N HCl solution to pH˜3 and filtered to remove insoluble materials. The filtrate was loaded onto an SCX column, washed with MeOH, then eluted with 7N NH3 in MeOH. Concentration provided a brownish solid, 2-(6-((3a R,6aS)-5-(2-((tert-butyldimethylsilyl)oxy)ethyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol (23 mg, 0.020 mmol, 51% yield), MS (M+1)=507.1.

후처리

  1. customquenched with water
  2. additiondiluted with DCM
  3. filtrationfiltered
  4. customto remove insoluble materials
  5. washwashed with MeOH
  6. washeluted with 7N NH3 in MeOH
  7. concentrationConcentration

출처 및 근거

ORD 기록
ord-8f733c6dc9ed490c8b06e3f1a5e6c050
출처 데이터셋
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08729263B2

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