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Iodine → HCID 21034940, 화합물

HRID 1833133
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HRID 1833133 반응식
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH2:6]Cl.[Mg].II.[CH2:14]([O:21][C:22]1[CH:23]=[C:24]([CH:33]=[CH:34][C:35]=1[O:36][CH3:37])[CH:25]=[N:26][CH2:27][CH:28]([O:31][CH3:32])[O:29][CH3:30])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[Cl-].[NH4+].C(=O)([O-])[O-].[K+].[K+].Cl[C:47]([O:49][CH2:50][CH3:51])=[O:48]>C(OCC)C.O1CCCC1.O>[CH2:50]([O:49][C:47](=[O:48])[N:26]([CH:25]([C:24]1[CH:33]=[CH:34][C:35]([O:36][CH3:37])=[C:22]([O:21][CH2:14][C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH:23]=1)[CH2:6][C:5]1[CH:8]=[CH:9][CH:10]=[C:3]([O:2][CH3:1])[CH:4]=1)[CH2:27][CH:28]([O:29][CH3:30])[O:31][CH3:32])[CH3:51]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

11

반응물 7

HCID 807IodineHCID 10928Ethyl chloroformateHCID 11430Potassium CarbonateHCID 25517Ammonium ChlorideHCID 699943-Methoxybenzyl chlorideHCID 280250(3-Benzyloxy-4-methoxy-benzylidene)-(2,2-dimethoxy-ethyl)-amineHCID 5462224Magnesium

생성물 1

HCID 21034940HCID 21034940, 화합물수율 86%

시약·촉매·용매 3

HCID 962Water용매2회HCID 3283Diethyl Ether용매3회HCID 8028Tetrahydrofuran용매

실험 절차

3-Methoxybenzyl chloride (3.13 g, 20 mmol) was dissolved in 10 mL of diethyl ether and magnesium metal (0.49 g, 20.5 mmol) was added without stirring. Several crystals of iodine were added. After the reaction was initiated, stirring was begun and external cooling was applied as necessary to maintain gentle refluxing. Once the initial reaction had subsided, the mixture was refluxed×1 hour. The mixture was diluted to 40 mL with diethyl ether and cooled in an ice-bath. The etheral solution of (3-benzyloxy-4-methoxy-benzylidene)-(2,2-dimethoxy-ethyl)-amine was added dropwise to the cold solution. After the addition was complete, the resulting suspension was heated at reflux×2 hours. The mixture was cooled in an ice-bath and saturated aqueous ammonium chloride solution (20 mL) was added dropwise. The mixture was stirred at 0° C.×15 minutes and then at room temperature×1 hour. Water (20 mL) was added, and the mixture was filtered. The organic layer was separated, washed with water (1×20 mL), saturated aqueous sodium chloride solution (1×20 mL) and dried over anhydrous magnesium sulfate. The solvent was concentrated in vacuo to give a viscous oil. The oil was dissolved in tetrahydrofuran (20 mL) and water (10 mL) was added. Then potassium carbonate (2.5 g) was added at room temperature followed by dropwise addition of ethyl chloroformate (1.08 g, 10 mmol, 0.95 mL). The mixture was stirred×1 hour at room temperature. The mixture was diluted with diethyl ether (50 mL), and the organic layer was separated and dried over anhydrous magnesium sulfate. The solvent was concentrated in vacuo. The resulting viscous oil was used purified by silica gel chromatography (25% to 35% ethyl acetate in hexanes to give [1-(3-Benzyloxy-4-methoxy-phenyl)-2-(3-methoxy-phenyl)-ethyl]-(2,2-dimethoxy-ethyl)-carbamic acid ethyl ester (4.51 g, 8.6 mmol, 86%) as pale yellow viscous oil.

후처리

  1. stirringstirring
  2. temperatureexternal cooling
  3. temperatureto maintain gentle refluxing
  4. customOnce the initial reaction
  5. temperaturethe mixture was refluxed×1 hour
  6. temperaturecooled in an ice-bath
  7. additionAfter the addition
  8. temperaturethe resulting suspension was heated
  9. temperatureat reflux×2 hours
  10. temperatureThe mixture was cooled in an ice-bath
  11. stirringThe mixture was stirred at 0° C.×15 minutes
  12. customat room temperature
  13. custom×1 hour
  14. filtrationthe mixture was filtered
  15. customThe organic layer was separated
  16. washwashed with water (1×20 mL), saturated aqueous sodium chloride solution (1×20 mL)
  17. dry with materialdried over anhydrous magnesium sulfate
  18. concentrationThe solvent was concentrated in vacuo
  19. customto give a viscous oil
  20. stirringThe mixture was stirred×1 hour at room temperature
  21. customthe organic layer was separated
  22. dry with materialdried over anhydrous magnesium sulfate
  23. concentrationThe solvent was concentrated in vacuo
  24. customThe resulting viscous oil was used purified by silica gel chromatography (25% to 35% ethyl acetate in hexanes

출처 및 근거

ORD 기록
ord-1c1dfda1026b41d79275ce040a21e426
출처 데이터셋
uspto-grants-2006_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07067529B2

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