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Sodium Iodide → HCID 86701258, 화합물

HRID 2276060
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HRID 2276060 반응식
[C:1]([O:9][CH2:10][CH2:11][C@@H:12]1[C@@H:20]([O:21][C:22](=[O:26])[CH:23]([CH3:25])[CH3:24])[C@H:19]([CH3:27])[O:18][C:17](=[O:28])[C@@H:16]([NH:29][C:30](=[O:40])[C:31]2[C:36]([OH:37])=[C:35]([O:38][CH3:39])[CH:34]=[CH:33][N:32]=2)[CH2:15][O:14][C:13]1=[O:41])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])([O-])=O.[Na+].[Na+].[Na+].[I-].[C:50]([O:55][CH2:56]Cl)(=[O:54])[CH:51]([CH3:53])[CH3:52]>CC(C)=O>[C:1]([O:9][CH2:10][CH2:11][C@@H:12]1[C@@H:20]([O:21][C:22](=[O:26])[CH:23]([CH3:25])[CH3:24])[C@H:19]([CH3:27])[O:18][C:17](=[O:28])[C@@H:16]([NH:29][C:30](=[O:40])[C:31]2[C:36]([O:37][CH2:56][O:55][C:50](=[O:54])[CH:51]([CH3:53])[CH3:52])=[C:35]([O:38][CH3:39])[CH:34]=[CH:33][N:32]=2)[CH2:15][O:14][C:13]1=[O:41])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
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HCID 5238Sodium IodideHCID 10340Sodium CarbonateHCID 9989325CHLOROMETHYL ISOBUTYRATEHCID 86701259HCID 86701259, 화합물

생성물 1

HCID 86701258HCID 86701258, 화합물수율 76%

시약·촉매·용매 1

HCID 180Acetone
용매

반응 조건

온도
50 °C

실험 절차

To a mixture of 2-((3S,7R,8R,9S)-3-(3-hydroxy-4-methoxypicolinamido)-8-(isobutyryloxy)-9-methyl-2,6-dioxo-1,5-dioxonan-7-yl)ethyl benzoate (50 mg, 0.087 mmol), Na2CO3 (15 mg, 0.14 mmol) and NaI (3.09 mg, 0.021 mmol) in acetone (0.6 mL) was added chloromethyl isobutyrate (15.4 mg, 0.114 mmol) slowly at room temperature (about 22° C.). The resulting reaction mixture was warmed to 50° C. and stirred at 50° C. overnight. The solvent was evaporated and the crude residue was purified via flash chromatography (SiO2, hexanes/EtOAc gradient) to afford the title compound (35 mg, 76%) as an off-white solid: mp 48-50° C.; 1H NMR (300 MHz, CDCl3) δ 8.55 (d, J=7.9 Hz, 1H), 8.26 (d, J=5.5 Hz, 1H), 8.04-7.87 (m, 2H), 7.55 (t, J=7.4 Hz, 1H), 7.43 (t, J=7.5 Hz, 2H), 6.95 (d, J=5.4 Hz, 1H), 5.85-5.62 (m, 2H), 5.41 (s, 1H), 5.26-5.06 (m, 2H), 4.94 (dd, J=9.8, 6.3 Hz, 1H), 4.42-4.19 (m, 2H), 3.92 (d, J=14.3 Hz, 3H), 3.65 (s, 1H), 2.76 (t, J=9.5 Hz, 1H), 2.62 (dt, J=10.8, 5.5 Hz, 1H), 2.58-2.47 (m, 1H), 2.30 (s, 1H), 1.82 (s, 1H), 1.29 (d, J=6.3 Hz, 3H), 1.21 (dd, J=7.0, 0.9 Hz, 6H), 1.13 (d, J=7.0 Hz, 6H); ESIMS m/z 673 ([M+H]+).

후처리

  1. customThe resulting reaction mixture
  2. customThe solvent was evaporated
  3. customthe crude residue was purified via flash chromatography (SiO2, hexanes/EtOAc gradient)

출처 및 근거

ORD 기록
ord-a997916d491a4d12b124e55fbef2cc87
출처 데이터셋
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09131690B2

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