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Dichloromethane → 3,8-Diphenyl-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)imidazo[1,2-d][1,2,4]triazine

HRID 396152
ノート
印刷プレビュー

反応式

HRID 396152 の反応式
[C:1]1([C:7]2[N:11]3[CH:12]=[N:13][N:14]=[C:15]([C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)[C:10]3=[N:9][C:8]=2[OH:22])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.Cl[CH2:25][C:26]1[N:27]([CH3:31])[N:28]=[CH:29][N:30]=1.[H-].[Na+].C(Cl)Cl>CN(C)C=O>[C:1]1([C:7]2[N:11]3[CH:12]=[N:13][N:14]=[C:15]([C:16]4[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=4)[C:10]3=[N:9][C:8]=2[O:22][CH2:25][C:26]2[N:27]([CH3:31])[N:28]=[CH:29][N:30]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
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 6344DichloromethaneHCID 24758Sodium hydrideHCID 111853273,8-Diphenylimidazo[1,2-d][1,2,4]triazin-2-olHCID 222853325-(chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride

生成物 1

HCID 99519603,8-Diphenyl-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)imidazo[1,2-d][1,2,4]triazine

試薬・触媒・溶媒 1

HCID 6228
Dimethylformamide
溶媒

実験手順

To a solution of 3,8-diphenylimidazo[1,2-d][1,2,4]triazin-2-ol (500 mg, 1.74 mmol) and 3-chloromethyl-2-methyl-2H-[1,2,4]triazole hydrochloride (320 mg, 1.91 mmol) in anhydrous N,N-dimethylformamide under an atmosphere of nitrogen was added sodium hydride (153 mg of a 60% dispersion in oil, 3.8 mmol). The reaction mixture was stirred at room temperature for 72 h. The mixture was partitioned between EtOAc (80 ml) and water (150 ml), the organic layer was separated, and the aqueous layer extracted with a further two portions of EtOAc (80 ml). The combined EtOAc layers were washed with saturated NaCl solution (100 ml), separated, dried over MgSO4 and evaporated in vacuo. The residue was purified by flash chromatography (SiO2; 2% MeOH in CH2Cl2+0.5% NH3), and the product recrystallised from CH2Cl2 to afford 235 mg (0.6 mmol, 35%) as a white solid. (Found: C, 63.66; H, 4.23; N, 24.54; C21H17N7O.0.5H2O.0.07CH2Cl2 requires C, 63.47; H, 4.59; N, 24.59%); m.p. 179° C. (from CH2Cl2); δH (400 MHz; CDCl3) 3.95 (3H, s, NCH3), 5.75 (2H, s, OCH2), 7.46 (1H, t, J 7.3, aromatic), 7.52-7.60 (5H, m, aromatics), 7.63 (2H, d, J 7.6, aromatics), 7.88 (1H, s, triazole H5), 8.57-8.65 (2H, br m, aromatics), 9.43 (1H, s, imidazotriazine H5); m/z (ES+) 384 (M++H, 100%).

後処理

  1. customThe mixture was partitioned between EtOAc (80 ml) and water (150 ml)
  2. customthe organic layer was separated
  3. extractionthe aqueous layer extracted with a further two portions of EtOAc (80 ml)
  4. washThe combined EtOAc layers were washed with saturated NaCl solution (100 ml)
  5. customseparated
  6. dry with materialdried over MgSO4
  7. customevaporated in vacuo
  8. customThe residue was purified by flash chromatography (SiO2; 2% MeOH in CH2Cl2+0.5% NH3)
  9. customthe product recrystallised from CH2Cl2
  10. customto afford 235 mg (0.6 mmol, 35%) as a white solid

出典と根拠

ORDレコード
ord-aedd9fe61d034bacad7bf8dcc4e96300
出典データセット
uspto-grants-2003_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06608062B1

反応ノート

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