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Isobutyl iodide → 1,3-Dihydro-5-(1,1-dimethylethyl)1-(2-Methylpropyl)-3(R,S)-[(benzyloxycarbonyl)-amino]-2H-1,4benzodiazepin-2-one

HRID 2399686
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HRID 2399686 반응식
[CH3:1][C:2]([C:5]1[C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=2[NH:9][C:8](=[O:16])[CH:7]([NH:17][C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[O:19])[N:6]=1)([CH3:4])[CH3:3].[H-].[Na+].[CH3:30][CH:31]([CH3:34])[CH2:32]I>CN(C)C=O>[CH3:4][C:2]([C:5]1[C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=2[N:9]([CH2:30][CH:31]([CH3:34])[CH3:32])[C:8](=[O:16])[CH:7]([NH:17][C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[O:19])[N:6]=1)([CH3:1])[CH3:3]
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참가 물질

5

반응물 3

HCID 10556Isobutyl iodideHCID 24758Sodium hydrideHCID 135722083HCID 135722083, 화합물

생성물 1

HCID 101369981,3-Dihydro-5-(1,1-dimethylethyl)1-(2-Methylpropyl)-3(R,S)-[(benzyloxycarbonyl)-amino]-2H-1,4benzodiazepin-2-one수율 56%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

A solution of 1,3-dihydro-5-(1,1-dimethylethyl)-3(R,S) -[(benzyloxycarbonyl)-amino]-2H-1,4-benzodiazepin-2-one (500 mg, 1.4 mmol) in dimethylformamide (10 ml) under an atmosphere of nitrogen, was treated with sodium hydride (54 mg of a 57% dispersion in mineral oil, 1.4 mol) in one portion at 0° C. After 1 h, 2-methylpropyl iodide (0.17 ml, 1.45 mmol) was added and the resulting mixture stirred at room temperature for 16 h. The solvent was then evaporated and the crude residue partitioned between water (15 ml) and dichloromethane (2×20 ml). The combined organic phases were washed with brine (2×20 ml), dried (MgSO4) and evaporated. The residue was chromatographed on silica using 2:1 petrol:ethyl acetate as eluent, to afford the title compound as a colourless solid (320 mg, 56%). 1H NMR (250 MHz, D6 -DMSO) δ 0.63 (3H, d, J=7 Hz), 0.77 (3H, d, J=7 Hz), 1.26 (9H, s), 1.49 (1H, m), 3.56 (1H, dd, J=4 Hz, 14 Hz), 4.10 (1H, dd, J=4 Hz, 14 Hz), 4.88 (1H, m), 5.02 (2H, m), 7.20-7.40 (5H, m), 7.58 (1H, t, J=8 Hz), 7.66 (1H, d, J=9 Hz), 7.77 (1H, d, J=8 Hz), 8.18 (1H, d, J=9 Hz).

후처리

  1. customThe solvent was then evaporated
  2. customthe crude residue partitioned between water (15 ml) and dichloromethane (2×20 ml)
  3. washThe combined organic phases were washed with brine (2×20 ml)
  4. dry with materialdried (MgSO4)
  5. customevaporated
  6. customThe residue was chromatographed on silica using 2:1 petrol

출처 및 근거

ORD 기록
ord-a07045179234472ea70bb1f9bbe439ac
출처 데이터셋
uspto-grants-1995_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05451582

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