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Proton sponge → HCID 89886344, 화합물

HRID 75741
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HRID 75741 반응식
[CH2:1]([C@@H:8]1[C@@H:16]([OH:17])[C@H:15]([CH3:18])[O:14][C:13](=[O:19])[C@@H:12]([N:20]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[C:21](=[O:27])[O:22][C:23]([CH3:26])([CH3:25])[CH3:24])[CH2:11][O:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:35]N(C1C2C(N(C)C)=CC=CC=2C=CC=1)C.F[B-](F)(F)F.C[O+](C)C>C(Cl)Cl>[CH2:1]([C@@H:8]1[C@@H:16]([O:17][CH3:35])[C@H:15]([CH3:18])[O:14][C:13](=[O:19])[C@@H:12]([N:20]([C:21]([O:22][C:23]([CH3:26])([CH3:24])[CH3:25])=[O:27])[C:28](=[O:29])[O:30][C:31]([CH3:33])([CH3:32])[CH3:34])[CH2:11][O:10][CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
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참가 물질

5

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HCID 88675Proton spongeHCID 2735153Oxonium, trimethyl-, tetrafluoroborate(1-) (1:1)HCID 86701228tert-butyl N-[(3S,7S,8R,9S)-7-benzyl-8-hydroxy-9-methyl-2-oxo-1,5-dioxonan-3-yl]-N-tert-butoxycarbonylcarbamate

생성물 1

HCID 89886344HCID 89886344, 화합물수율 85.5%

시약·촉매·용매 1

HCID 6344Dichloromethane
용매

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온도
0 °C

실험 절차

To a solution of tert-butyl N-[(3S,7S,8R,9S)-7-benzyl-8-hydroxy-9-methyl-2-oxo-1,5-dioxonan-3-yl]-N-tert-butoxycarbonylcarbamate (250 mg, 0.521 mmol, 1.00 equiv) in CH2Cl2 (5.2 mL, 0.1 M) at 0° C. (ice water bath) were added proton sponge (335 mg, 1.56 mmol, 3.00 equiv) and trimethyloxonium tetrafluoroborate (116 mg, 0.782 mmol, 1.50 equiv). The resulting white suspension was stirred at 0° C. for 30 minutes (min), removed from the cold bath and stirred at room temperature for 5 h, and then poured into ½ sat'd NaHCO3 solution (20 mL). The mixture was extracted with CH2Cl2 (3×20 mL), and the combined organic phases were washed with 1N HCl (20 mL), dried over Na2SO4, filtered, and concentrated to provide an oil. Purification by automated silica gel column chromatography provided tert-butyl N-[(3S,7S,8R,9S)-7-benzyl-8-methoxy-9-methyl-2-oxo-1,5-dioxonan-3-yl]-N-tert-butoxycarbonylcarbamate (220 mg, 85%) as a colorless, sticky solid: IR (ATR) 2979, 2935, 2831, 1742, 1706, 1455, 1293, 1254, 1170, 1144, 1121, 1098, 1057, 913, 853, 732 cm−1; 1H NMR (400 MHz, CDCl3) δ 7.32-7.24 (m, 2H), 7.22-7.15 (dd, J=5.1, 2.6 Hz, 3H), 5.18-5.06 (dd, J=8.6, 6.3 Hz, 1H), 4.94-4.79 (dq, J=9.1, 6.3 Hz, 1H), 4.16-4.01 (dd, J=11.8, 6.3 Hz, 1H), 3.94-3.76 (dd, J=11.8, 8.7 Hz, 1H), 3.59-3.50 (d, J=10.5 Hz, 1H), 3.50-3.45 (s, 3H), 1.50-1.45 (m, 21H), 3.42-3.32 (dd, J=10.8, 6.2 Hz, 1H), 3.14-3.01 (m, 2H), 2.47-2.31 (t, J=12.4 Hz, 1H), 2.08-1.89 (s, 1H), 1.53-1.43 (s, 18H); 13C NMR (101 MHz, CDCl3) δ 169.94, 152.62, 139.87, 129.25, 128.33, 126.03, 86.42, 83.03, 75.09, 70.91, 59.58, 57.42, 46.62, 35.15, 27.92, 18.92; HRMS-ESI (m/z) [M+Na]+ calc'd for C26H39NO8Na, 516.2568. found, 516.2572.

후처리

  1. customremoved from the cold bath
  2. stirringstirred at room temperature for 5 h
  3. additionpoured into ½ sat'd NaHCO3 solution (20 mL)
  4. extractionThe mixture was extracted with CH2Cl2 (3×20 mL)
  5. washthe combined organic phases were washed with 1N HCl (20 mL)
  6. dry with materialdried over Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated
  9. customto provide an oil
  10. customPurification by automated silica gel column chromatography

출처 및 근거

ORD 기록
ord-a12446edc3ef445c82209a040e66c962
출처 데이터셋
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08835462B2

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