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Sodium Iodide → 1-(1-Benzhydryl-3-azetidinyl)-5-ethyl-4-nitro-1H-pyrazole-3-carboxamide

HRID 393897
ノート
印刷プレビュー

反応式

HRID 393897 の反応式
[CH2:1]([C:3]1[NH:7][N:6]=[C:5]([C:8]([NH2:10])=[O:9])[C:4]=1[N+:11]([O-:13])=[O:12])[CH3:2].C(=O)([O-])[O-].[Na+].[Na+].[I-].[Na+].CS(O[CH:27]1[CH2:30][N:29]([CH:31]([C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[CH2:28]1)(=O)=O>O1CCCC1.O>[CH:31]([N:29]1[CH2:30][CH:27]([N:7]2[C:3]([CH2:1][CH3:2])=[C:4]([N+:11]([O-:13])=[O:12])[C:5]([C:8]([NH2:10])=[O:9])=[N:6]2)[CH2:28]1)([C:38]1[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=1)[C:32]1[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=1
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 4

HCID 5238Sodium IodideHCID 10340Sodium CarbonateHCID 27587161-(Diphenylmethyl)azetidin-3-yl methanesulfonateHCID 114467375-ethyl-4-nitro-1H-pyrazole-3-carboxamide

生成物 1

HCID 116471191-(1-Benzhydryl-3-azetidinyl)-5-ethyl-4-nitro-1H-pyrazole-3-carboxamide収率 31%

試薬・触媒・溶媒 2

HCID 962
Water
溶媒
HCID 8028Tetrahydrofuran溶媒

実験手順

5-Ethyl-4-nitro-1H-pyrazole-3-carboxamide (WO 98/49166) (25.0 g, 136 mmol), sodium carbonate (57.6 g, 543 mmol), sodium iodide (40.7 g, 272 mmol) and 1-benzhydryl-3-azetidinyl methanesulfonate (86.2 g, 272 mmol) were suspended in tetrahydrofuran (338 mL) and water (38 mL) and heated under reflux for 5 days. The reaction mixture was then concentrated in vacuo and taken up in ethyl acetate (500 mL) and water (300 mL). The resulting precipitate was filtered, washed with ethyl acetate and water to yield the title compound as a white solid (17 g, 41.9 mmol, 31%): mp 257-260° C.; 1H NMR (400 MHz, DMSO-d6): δ=1.09 (t, 3H, J=7.6 Hz), 2.95 (q, 2H, J=7.3 Hz), 3.43 (t, 2H, J=7.6 Hz), 3.61 (t 2H, J=7.6 Hz), 4.59 (s, 1H), 5.23 (quintet, 1H, J=7.3 Hz), 7.15-7.20 (m, 2H), 7.24-7.31 (m, 4H), 7.43-7.48 (m, 4H), 7.70 (br s, 1H), 7.95 (br s, 1H); LRMS (m/z) (TSP+) 406.2 (MH+).

後処理

  1. temperatureunder reflux for 5 days
  2. concentrationThe reaction mixture was then concentrated in vacuo
  3. filtrationThe resulting precipitate was filtered
  4. washwashed with ethyl acetate and water

出典と根拠

ORDレコード
ord-795383cb88094671aeb4051a670b2ae6
出典データセット
uspto-grants-2004_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06809200B2

反応ノート

読み込み中…

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