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Cesium carbonate → 2',3',5'-Tris-o-(tert-butyldimethylsilyl)-8-(3-pyridinyl)adenosine

HRID 1689621
ノート
印刷プレビュー

反応式

HRID 1689621 の反応式
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3](B(O)O)[CH:2]=1.C([O-])([O-])=O.[Cs+].[Cs+].Br[C:17]1[N:18]([C:49]2[N:50]=[CH:51][N:52]=[C:53]([NH2:56])[C:54]=2[N:55]=1)[C@@H:19]1[O:48][C@H:38]([CH2:39][O:40][Si:41]([C:44]([CH3:47])([CH3:46])[CH3:45])([CH3:43])[CH3:42])[C@@H:29]([O:30][Si:31]([C:34]([CH3:37])([CH3:36])[CH3:35])([CH3:33])[CH3:32])[C@H:20]1[O:21][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23]>O1CCOCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O.CCOC(C)=O>[Si:22]([O:21][C@@H:20]1[C@H:29]([O:30][Si:31]([C:34]([CH3:35])([CH3:36])[CH3:37])([CH3:33])[CH3:32])[C@@H:38]([CH2:39][O:40][Si:41]([C:44]([CH3:45])([CH3:46])[CH3:47])([CH3:42])[CH3:43])[O:48][C@H:19]1[N:18]1[C:49]2[N:50]=[CH:51][N:52]=[C:53]([NH2:56])[C:54]=2[N:55]=[C:17]1[C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1)([C:25]([CH3:27])([CH3:28])[CH3:26])([CH3:23])[CH3:24]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 3

HCID 10796Cesium carbonate2 回HCID 27343783-Pyridinylboronic acidHCID 109304658-Bromo-2',3',5'-tris-o-(tert-butyl-dimethylsilyl)adenosine

生成物 1

HCID 669067752',3',5'-Tris-o-(tert-butyldimethylsilyl)-8-(3-pyridinyl)adenosine

試薬・触媒・溶媒 4

HCID 178418397
HCID 178418397、化合物
触媒
HCID 962Water溶媒2 回
HCID 8857Ethyl Acetate溶媒
HCID 312751,4-Dioxane溶媒

実験手順

Pyridine-3-boronic acid (0.59 g, 0.48 mmol) and Cs2CO3 (3.11 g, 9.57 mmol) were added to a solution of 2′,3′,5′-tris-O-(tert-butyldimethylsilyl)-8-bromoadenosine (13) (2.20 g, 3.19 mmol) and Pd(PPh3)4 (0.37 g, 0.32 mmol) in dioxane (50 ml) under argon. Water (10 ml) was added to dissolve all Cs2CO3. The solution was heated under reflux overnight. EtOAc (200 ml) was added to the cold reaction mixture, the resultant solution shaken with water (100 ml), the organic solution dried (MgSO4), evaporated and the residual material subjected to flash chromatography on silica gel using EtOAc:MeOH 99:1; yield 1.76 g (80%). HRESI: M+H 687.3900. Calc. for C33H58N6O4Si3+H, 687.3900. 1H NMR: (300 MHz, CDCl3); δ −0.41/−0.12/0.01/0.02/0.09/0.11 (18H, s, 3×Si(CH3)2), 0.67/0.85/0.86 (27H, s, 3×SiC(CH3)3), 3.71-4.12 (3H, m, H-5′, H-3′ or H-4′), 4.53-4.55 (1H, m, H-4′ or H-3′), 5.61-5.65 (1H, m, H-2′), 5.81 (1H, d, J 6.3 Hz, H-1′), 6.02 (2H, s, NH2), 7.38-7.42 (1H, m, H-5′), 8.09-8.12 (1H, m, H-4″), 8.30 (1H, s, H-2), 8.73-8.75 (1H, m, H-6″), 9.04-9.05 (1H, m, H-2″). 13C NMR: (75 MHz, CDCl3); δ −5.5/−5.4/−5.3/−4.7/−4.6/−4.5 (3×Si(CH3)2), 17.2/18.0/18.3 (3×SiC), 25.6/25.8/25.8 (3×SiC(CH3)3), 62.5 (C-5′), 71.7/72.4 (C-2′, C-3′), 85.5/88.9 (C-4′, C-1′), 120.1/123.1/125.7/136.9/149.9/150.4/151.0/151.1/152.6/155.6 (C-5, C-5″, C-3″, C-4″, C-6, C-8, C-6″, C-2″, C-2, C-4).

後処理

  1. temperatureThe solution was heated
  2. temperatureunder reflux overnight
  3. dry with materialthe organic solution dried (MgSO4)
  4. customevaporated

出典と根拠

ORDレコード
ord-74dd426c73f342c5996afedc1a5d57c1
出典データセット
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08153609B2

反応ノート

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