ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Trimethylsilyl triflate → [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methyl benzoate

HRID 633783
ノート
印刷プレビュー

反応式

HRID 633783 の反応式
[Cl:1][C:2]1[C:3]2[C:10]([I:11])=[CH:9][NH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[CH3:12][C@@:13]1([O:46][C:47](=[O:54])[C:48]2[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=2)[C@H:26]([O:27][C:28](=[O:35])[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[C@@H:25]([CH2:36][O:37][C:38](=[O:45])[C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)[O:24][C@H:14]1OC(=O)C1C=CC=CC=1.C1CCN2C(=NCCC2)CC1.[Si](OS(C(F)(F)F)(=O)=O)(C)(C)C>CC#N.CCOC(C)=O>[Cl:1][C:2]1[C:3]2[C:10]([I:11])=[CH:9][N:8]([C@@H:14]3[O:24][C@H:25]([CH2:36][O:37][C:38](=[O:45])[C:39]4[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=4)[C@@H:26]([O:27][C:28](=[O:35])[C:29]4[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=4)[C@@:13]3([CH3:12])[O:46][C:47](=[O:54])[C:48]3[CH:49]=[CH:50][CH:51]=[CH:52][CH:53]=3)[C:4]=2[N:5]=[CH:6][N:7]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 65367Trimethylsilyl triflateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 108755601,2,3,5-Tetra-O-benzoyl-2-C-methyl-beta-D-ribofuranoseHCID 148092816-Chloro-7-iodo-7-deazapurine

生成物 1

HCID 89779566[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methyl benzoate
収率 48.1%

試薬・触媒・溶媒 2

HCID 6342Acetonitrile溶媒HCID 8857Ethyl Acetate溶媒

反応条件

温度
70 °C

実験手順

To a mixture of 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine 8 (903 mg, 3.23 mmol), 2-C-methyl-1,2,3,5-tetra-O-benzoyl-β-D-ribofuranose 9 (1.7 g, 2.93 mmol) and DBU (1.3 ml, 8.69 mmol) in MeCN (20 ml) was dropwise added TMSOTf (2.1 ml, 11.62 mmol) at 0° C. and the mixture was then stirred at 70° C. for 22.5 h. After cooling, the mixture was diluted with AcOEt (100 ml), washed with aq NaHCO3 (sat., 25 ml), water (25 ml) and brine (25 ml). The organic layer was dried over MgSO4 and evaporated. The residue was chromatographed on silica (hexanes/toluene, 1:1; then hexanes/toluene/MeCN, 49:49:2→3:3:4) affording title compound 10 as a white foam (1.04 g, 48%). Compound was recrystallized from EtOH. Mp 95° C. [α]20D −69.3 (c 0.280, CHCl3). 1H NMR (500 MHz, CDCl3): 1.59 (s, 3H, CH3); 4.72 (td, 1H, J4′,3′=J4′,5′b=5.8, J4′,5′a=3.4, H-4′); 4.85 (dd, 1H, Jgem=12.2, J5′b,4′=5.8, H-5′b); 4.95 (dd, 1H, Jgem=12.2, J5′a,4′=3.4, H-5′a); 6.03 (d, 1H, J3′,4′=5.8, H-3′); 6.95 (s, 1H, H-1′); 7.34, 7.46 and 7.47 (3×m, 3×2H, H-m-Bz); 7.54, 7.59 and 7.61 (3×m, 3×1H, H-p-Bz); 7.69 (s, 1H, H-6); 7.96, 8.10 and 8.11 (3×m, 3×2H, H-o-Bz); 8.75 (s, 1H, H-2). 13C NMR (125.7 MHz, CDCl3): 17.92 (CH3); 52.68 (C-5); 63.33 (CH2-5′); 75.55 (CH-3′); 80.04 (CH-4′); 84.93 (C-2′); 88.95 (CH-1′); 117.71 (C-4a); 128.49, 128.54 and 128.63 (CH-m-Bz); 128.65, 129.50 and 129.61 (C-i-Bz); 129.78, 129.83 and 129.92 (CH-o-Bz); 132.66 (CH-6); 133.38, 133.66, 133.72 (CH-p-Bz); 150.68 (C-7a); 151.17 (CH-2); 153.15 (C-4); 165.09, 165.33 and 166.32 (CO). IR (CHCl3): 3092, 3066, 3034, 1727, 1602, 1587, 1577, 1538, 1504, 1493, 1451, 1444, 1339, 1316, 1269, 1248, 1178, 1162, 1141, 1116, 1070, 1027, 1002, 952, 943, 843, 822, 725, 712, 686, 617, 600. MS (FAB): m/z 738 (M+H). HRMS (FAB) for C33H26ClIN3O7 [M+H] calcd: 738.0504. found: 738.0491. Anal. Calcd for C33H25ClIN3O7: C, 53.71; H, 3.41; N, 5.69. Found: C, 53.91; H, 3.29; N, 5.38.

後処理

  1. customat 0° C.
  2. temperatureAfter cooling
  3. washwashed with aq NaHCO3 (sat., 25 ml), water (25 ml) and brine (25 ml)
  4. dry with materialThe organic layer was dried over MgSO4
  5. customevaporated
  6. customThe residue was chromatographed on silica (hexanes/toluene, 1:1

出典と根拠

ORDレコード
ord-4de1c0555f14468695df8b6d4c41cc1d
出典データセット
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09321800B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート