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Allyl bromide → 3'-O-Allyl-5'-O-(tert-butyldimethylsilyl)-5-iodo-2'-deoxycytidine

HRID 1363686
ノート
印刷プレビュー

反応式

HRID 1363686 の反応式
[Si:1]([O:8][CH2:9][C@H:10]1[O:14][C@@H:13]([N:15]2[CH:22]=[C:21]([I:23])[C:19]([NH2:20])=[N:18][C:16]2=[O:17])[CH2:12][C@@H:11]1[OH:24])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[H-].[Na+].[CH2:27](Br)[CH:28]=[CH2:29].C([O-])(O)=O.[Na+]>C1COCC1>[CH2:29]([O:24][C@@H:11]1[C@@H:10]([CH2:9][O:8][Si:1]([C:4]([CH3:7])([CH3:5])[CH3:6])([CH3:2])[CH3:3])[O:14][C@@H:13]([N:15]2[CH:22]=[C:21]([I:23])[C:19]([NH2:20])=[N:18][C:16]2=[O:17])[CH2:12]1)[CH:28]=[CH2:27]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 7841Allyl bromideHCID 24758Sodium hydrideHCID 516892Sodium BicarbonateHCID 573524154-Amino-1-((2R,4S,5R)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one

生成物 1

HCID 666840933'-O-Allyl-5'-O-(tert-butyldimethylsilyl)-5-iodo-2'-deoxycytidine収率 47%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

実験手順

To a stirred solution of 18 (1.18 g; 2.52 mmol) in anhydrous THF (43 mL), 95% NaH powder (128 mg; 5.07 mmol) was added. The suspension mixture was stirred at room temperature for 45 min. Allyl bromide (240 μL, 2.79 mmol) was then added at 0° C. and the reaction was stirred at room temperature for another 14 h with exclusion of moisture. Saturated aqueous NaHCO3 (10 mL) was added at 0° C. and the reaction mixture was stirred for 10 min. After evaporation, the residue was dissolved in ethyl acetate (150 mL). The solution was then washed with saturated aqueous NaHCO3 and NaCl, and dried over anhydrous Na2SO4. After evaporation, the residue was purified by flash column chromatography using ethyl acetate as the eluent to afford 19 as white solid (601 mg; 47% yield): 1H NMR (400 MHz, CD3OD) δ 8.15 (s, 1H, 6-H), 6.12 (dd, J=5.6, 8.0 Hz, 1H, 1′-H), 4.17 (m, 1H, 4′-H), 4.14 (m, 1H, 3′-H), 3.98-4.10 (m, 2H, CH2CH═CH2), 3.93 (dd, J=2.8, 11.5 Hz, 1H, one of 5′-H), 3.83 (dd, J=2.8, 11.5 Hz, 1H, one of 5′-H), 2.53-2.60 (ddd, J=1.7, 5.6, 13.6 Hz, 1H, one of 2′-H), 1.94-2.02 (ddd, J=5.9, 8.0, 13.6 Hz, 1H, one of 2′-H), 0.94 (s, 9H, C(CH3)3), 0.17 (s, 3H, one of SiCH3), 0.16 (s, 3H, one of SiCH3); 13C NMR (100 MHz, CD3OD) δ 165.4, 156.7, 147.7, 135.5, 117.2, 88.2, 87.0, 80.4, 70.9, 64.8, 57.3, 40.1, 26.7, 19.4, −4.7, −4.9; HRMS (FAB+) calcd for C18H31O4N3SiI (M+H+): 508.1129, found: 568.1123.

後処理

  1. stirringthe reaction was stirred at room temperature for another 14 h with exclusion of moisture
  2. stirringthe reaction mixture was stirred for 10 min
  3. customAfter evaporation
  4. dissolutionthe residue was dissolved in ethyl acetate (150 mL)
  5. washThe solution was then washed with saturated aqueous NaHCO3 and NaCl
  6. dry with materialdried over anhydrous Na2SO4
  7. customAfter evaporation
  8. customthe residue was purified by flash column chromatography

出典と根拠

ORDレコード
ord-a44622c7d26841c69feed2c898a03ce9
出典データセット
uspto-grants-2011_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07883869B2

反応ノート

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