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N,N'-Dimethylethylenediamine → 10-[(R)-4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-1,4-dioxa-10-aza-dispiro[4.2.4.2]tetradecan-9-one

HRID 1023643
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HRID 1023643 반응식
[O:1]1[C:5]2([CH2:15][CH2:14][C:8]3([CH2:12][CH2:11][NH:10][C:9]3=[O:13])[CH2:7][CH2:6]2)[O:4][CH2:3][CH2:2]1.[F:16][C:17]([F:28])([F:27])[C@@H:18]([C:20]1[CH:25]=[CH:24][C:23](I)=[CH:22][CH:21]=1)[OH:19].CNCCNC.[O-]P([O-])([O-])=O.[K+].[K+].[K+].FC(F)(F)C(C1C=CC(I)=CC=1)O>CN(C=O)C>[F:16][C:17]([F:27])([F:28])[C@@H:18]([C:20]1[CH:25]=[CH:24][C:23]([N:10]2[CH2:11][CH2:12][C:8]3([CH2:14][CH2:15][C:5]4([O:4][CH2:3][CH2:2][O:1]4)[CH2:6][CH2:7]3)[C:9]2=[O:13])=[CH:22][CH:21]=1)[OH:19]
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7

반응물 5

HCID 8070N,N'-DimethylethylenediamineHCID 62657Potassium Phosphate, TribasicHCID 582301081,4-Dioxa-10-azadispiro[4.2.4.2]tetradecan-9-oneHCID 594408652,2,2-Trifluoro-1-(4-iodophenyl)ethanolHCID 68227618(R)-2,2,2-trifluoro-1-(4-iodophenyl)ethanol

생성물 1

HCID 58230103
10-[(R)-4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-1,4-dioxa-10-aza-dispiro[4.2.4.2]tetradecan-9-one
수율 64.6%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

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온도
80 °C

실험 절차

1,4-Dioxa-10-aza-dispiro[4.2.4.2]tetradecan-9-one (352 mg, obtained in example 133, step 3) was dissolved in DMF (22 mL) at RT. Then, (R)-2,2,2-trifluoro-1-(4-iodophenyl)ethanol (755 mg, for synthesis see: J. Org. Chem. 2009, 74, 1605-1610), N,N′-dimethylethylenediamine (sym) (294 mg), cuprous iodide (476 mg) and K3PO4 (1.06 g) were added to the reaction mixture. The mixture was heated to 80° C. for 4.5 hours. The reaction mixture was cooled down to 30° C. and more 2,2,2-trifluoro-1-(4-iodophenyl)ethanol (252 mg) was added. The mixture was re-heated to 80° C. for 2 hours. The reaction mixture was cooled, poured into ice/water and extracted two times with ethyl acetate. The combined organic layers were washed with brine, dried over Na2SO4, filtered and the solvent was evaporated. The residue was purified by flash chromatography (silica gel, gradient of ethyl acetate in heptane) to give the title compound as a colorless solid (415 mg, 62%). MS (ESI): 386.4 (MH+).

후처리

  1. temperatureThe reaction mixture was cooled down to 30° C.
  2. temperatureThe mixture was re-heated to 80° C. for 2 hours
  3. temperatureThe reaction mixture was cooled
  4. extractionextracted two times with ethyl acetate
  5. washThe combined organic layers were washed with brine
  6. dry with materialdried over Na2SO4
  7. filtrationfiltered
  8. customthe solvent was evaporated
  9. customThe residue was purified by flash chromatography (silica gel, gradient of ethyl acetate in heptane)

출처 및 근거

ORD 기록
ord-e4dede784b1d45d1add7db7199971c82
출처 데이터셋
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08722721B2

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