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2,2-Difluoropropionic acid → 2-(1,1-Difluoroethyl)-5-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,3,4-oxadiazole

HRID 1013161
ノート
印刷プレビュー

反応式

HRID 1013161 の反応式
[CH3:1][N:2]1[C:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[C:13]([F:16])([F:15])[F:14])=[N:5][N:4]=[C:3]1[C:17]12[CH2:24][CH2:23][C:20]([C:25]([NH:27][NH2:28])=[O:26])([CH2:21][CH2:22]1)[CH2:19][CH2:18]2.[F:29][C:30]([F:35])([CH3:34])[C:31](O)=O>C(Cl)Cl>[F:29][C:30]([C:34]1[O:26][C:25]([C:20]23[CH2:23][CH2:24][C:17]([C:3]4[N:2]([CH3:1])[C:6]([C:7]5[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=5[C:13]([F:15])([F:14])[F:16])=[N:5][N:4]=4)([CH2:18][CH2:19]2)[CH2:22][CH2:21]3)=[N:27][N:28]=1)([F:35])[CH3:31]
参加物実験手順後処理出典と根拠反応ノート

参加物

4

反応物 2

HCID 27828252,2-Difluoropropionic acidHCID 592555674-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carbohydrazide

生成物 1

HCID 160503652-(1,1-Difluoroethyl)-5-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,3,4-oxadiazole

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒2 回

実験手順

A mixture of 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carbohydrazide (4-A) (334 mg, 0.850 mmol) and 2,2-difluoropropionic acid (78 mg, 0.708 mmol) was suspended in methylene chloride, and DMC (1.2 g, 7.08 mmol) was added as solid. The mixture was stirred at room temperature under nitrogen for 48 hours before it was diluted with methylene chloride, washed with water, saturated sodium bicarbonate and brine. The crude product was purified by column chromatography to give 4-B as a white solid. MS (ESI+)=468.3 (M+1); 1H NMR (500 MHz, CDCl3): δ 2.15-2.33 (15H, m), 3.52 (3H, s), 7.61 (1H, m), 7.72 (2H, m), 7.85 (1H, m) ppm.

後処理

  1. additionDMC (1.2 g, 7.08 mmol) was added as solid
  2. washwashed with water, saturated sodium bicarbonate and brine
  3. customThe crude product was purified by column chromatography

出典と根拠

ORDレコード
ord-44ad6d21945e47b798424d8d3432a0b8
出典データセット
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07981910B2

反応ノート

読み込み中…

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