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Sodium Iodide → (+/-)-4-((alphaR*)-alpha-((2S*,5R*)-4-(Cyanomethyl)-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N,N-diethylbenzamide

HRID 1460124
ノート
印刷プレビュー

反応式

HRID 1460124 の反応式
[CH3:1][C@H:2]1[CH2:7][NH:6][C@H:5]([CH3:8])[CH2:4][N:3]1[C@H:9]([C:17]1[CH:29]=[CH:28][C:20]([C:21]([N:23]([CH2:26][CH3:27])[CH2:24][CH3:25])=[O:22])=[CH:19][CH:18]=1)[C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([OH:16])[CH:11]=1.[Si](O[Si](C(C)(C)C)(C)C)(C(C)(C)C)(C)C.Cl[CH2:46][C:47]#[N:48].C(=O)([O-])[O-].[Na+].[Na+].[I-].[Na+]>O1CCCC1>[C:47]([CH2:46][N:6]1[C@H:5]([CH3:8])[CH2:4][N:3]([C@H:9]([C:17]2[CH:18]=[CH:19][C:20]([C:21]([N:23]([CH2:26][CH3:27])[CH2:24][CH3:25])=[O:22])=[CH:28][CH:29]=2)[C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([OH:16])[CH:11]=2)[C@@H:2]([CH3:1])[CH2:7]1)#[N:48]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 5

HCID 5238Sodium IodideHCID 7856ChloroacetonitrileHCID 10340Sodium CarbonateHCID 590018TBDMS etherHCID 153522344-[(R)-((2S,5R)-2,5-dimethylpiperazin-1-yl)(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

生成物 1

HCID 57073064
(+/-)-4-((alphaR*)-alpha-((2S*,5R*)-4-(Cyanomethyl)-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N,N-diethylbenzamide

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

実験手順

(±)-4-((αR*)-α-((2S*,5R*)-2,5-Dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N,N-diethylbenzamide, tert-butyldimethylsilyl ether (0.51 g, 1.0 mmol, Example 81, infra) was combined with 2-chloroacetonitrile (0.07 mL, 1.1 mmol, Eastman Kodak, Rochester, N.Y.) and sodium carbonate in anhydrous tetrahydrofuran. The reaction mixture was chilled in an ice bath and sodium iodide (0.16 g, 1.1 mmol) was added. The reaction was allowed to warm to room temperature and stirred overnight, The solvent was removed and the residue was redissolved in dichloromethane and washed with water. The solvent was evaporated and the residue was purified by chromatography on silica gel with ethanol (0-3%) in dichloromethane. The product was dissolved in 20 mL of acetonitrile and stirred for 3 hours with tetraethylammonium fluoride hydrate (0.18 g). The solvent was evaporated and the residue was purified by chromatography on silica gel with ethanol (0-3%) in dichloromethane. Crystallization of the product from acetonitrile gave 37 mg of solid, mp 190°-192° C. Calc for C26H34N4O4:C, 71.86; H, 7.88; N, 12.89. Found: C, 71.83; H, 7.94; N, 12.95. NMR (200 MHz, CDCl3): δ 0.93 (d, J=6 Hz, 3H); 1.15 (d, J=4.7 Hz, 3H); 1.0-1.2 (br m, 6H); 1.79 (t, J=11 Hz, 1H); 2.2-2.4 (m, 5H); 3.2-3.6 (br m, 4H); 3.36 & 3.76 (ABq, J=17.4 Hz, 2H); 5.15 (s, 1H); 6.55 (s, 1H); 6.57 (d, J=8.6 Hz, 1H); 6.73 (d, J=8 Hz, 1H); 7.13 (t, J=7.6 Hz, 1H); 7.28 & 7.42 (ABq, J=8.2 Hz, 4H).

後処理

  1. temperatureThe reaction mixture was chilled in an ice bath
  2. customThe solvent was removed
  3. dissolutionthe residue was redissolved in dichloromethane
  4. washwashed with water
  5. customThe solvent was evaporated
  6. customthe residue was purified by chromatography on silica gel with ethanol (0-3%) in dichloromethane
  7. dissolutionThe product was dissolved in 20 mL of acetonitrile
  8. stirringstirred for 3 hours with tetraethylammonium fluoride hydrate (0.18 g)
  9. customThe solvent was evaporated
  10. customthe residue was purified by chromatography on silica gel with ethanol (0-3%) in dichloromethane
  11. customCrystallization of the product from acetonitrile

出典と根拠

ORDレコード
ord-3aac6d778a16403ba43b8012d8ee4b0c
出典データセット
uspto-grants-1998_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05854249

反応ノート

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このページの内容参加物実験手順後処理出典と根拠反応ノート