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Methylhydrazine → 3,4-difluoro-2-(4-iodo-2-methyl-phenylamino)-N-[2-(2,2,2-trifluoro-ethylamino)-ethoxy]-benzamide

HRID 2218483
ノート
印刷プレビュー

反応式

HRID 2218483 の反応式
[F:1][C:2]([F:20])([F:19])[CH2:3][NH:4][CH2:5][CH2:6][O:7][N:8]1C(=O)C2C(=CC=CC=2)C1=O.CNN.FC1C(O[C:32](=[O:50])[C:33]2[CH:38]=[CH:37][C:36]([F:39])=[C:35]([F:40])[C:34]=2[NH:41][C:42]2[CH:47]=[CH:46][C:45]([I:48])=[CH:44][C:43]=2[CH3:49])=C(F)C(F)=C(F)C=1F.C(N(C(C)C)CC)(C)C>C(OCC)(=O)C.CCOCC.ClCCl>[F:40][C:35]1[C:34]([NH:41][C:42]2[CH:47]=[CH:46][C:45]([I:48])=[CH:44][C:43]=2[CH3:49])=[C:33]([CH:38]=[CH:37][C:36]=1[F:39])[C:32]([NH:8][O:7][CH2:6][CH2:5][NH:4][CH2:3][C:2]([F:20])([F:19])[F:1])=[O:50]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 6061MethylhydrazineHCID 81531DiisopropylethylamineHCID 222861382-[2-(2,2,2-Trifluoro-ethylamino)-ethoxy]-isoindole-1,3-dioneHCID 233984843,4-Difluoro-2-(4-iodo-2-methyl-phenylamino)-benzoic acid pentafluorophenyl ester

生成物 1

HCID 101444603,4-difluoro-2-(4-iodo-2-methyl-phenylamino)-N-[2-(2,2,2-trifluoro-ethylamino)-ethoxy]-benzamide収率 87.6%

試薬・触媒・溶媒 3

HCID 3283Diethyl Ether溶媒HCID 6344Dichloromethane溶媒HCID 8857Ethyl Acetate溶媒

実験手順

Dichloromethane (5 mL) was added to 2-[2-(2,2,2-trifluoro-ethylamino)-ethoxy]-isoindole-1,3-dione (0.46 g, 1.6 mmol) and the resultant solution was cooled to 0° C. Methylhydrazine (0.086 mL, 1.62 mmol) was added and the resultant solution was stirred at ambient temperature for 1 h. Ether (20 mL) was added and the precipitate was filtered and the filtrate was concentrated in vacuo. Dimethylformamide (5 mL) was added and the resultant solution was treated sequentially with 3,4-difluoro-2-(4-iodo-2-methyl-phenylamino)-benzoic acid pentafluorophenyl ester (0.847 g, 1.51 mmol) and diisopropylethylamine (0.60 mL, 3.4 mmol). The resultant reaction mixture was stirred overnight, diluted with ethyl acetate and washed with water (4×) and saturated brine, dried over magnesium sulfate and concentrated in vacuo. Purification by silica gel chromatography (hexanes-ethyl acetate, 1:1) afforded 3,4-difluoro-2-(4-iodo-2-methyl-phenylamino)-N-[2-(2,2,2-trifluoro-ethylamino)-ethoxy]-benzamide (0.70 g, 83% yield) as a waxy foam: 1H NMR (400 MHz, Acetone-d6) δ 10.98 (br s, 1H), 8.69 (br s, 1H), 7.52 (br s, 2H), 7.39 (dd, J=8.6 Hz, 2.0 Hz, 1H), 7.00 (m, 1H), 6.55 (dd, J=8.6 Hz, 6.4 Hz, 1H), 3.27 (q, J=10.0 Hz, 2H), 2.90 (br t, J=4.9 Hz, 2H), 2.82 (br s, 2H), 2.30 (s, 3H); 19F NMR (376 MHz, Acetone-d6) δ −73.1 (t, J=10.0 Hz, 3F), −133.8 (s, 1F), −143.2 (s, 1F); MS (APCI+)=530.0.

後処理

  1. filtrationthe precipitate was filtered
  2. concentrationthe filtrate was concentrated in vacuo
  3. additionDimethylformamide (5 mL) was added
  4. customThe resultant reaction mixture
  5. washwashed with water (4×) and saturated brine
  6. dry with materialdried over magnesium sulfate
  7. concentrationconcentrated in vacuo
  8. customPurification by silica gel chromatography (hexanes-ethyl acetate, 1:1)

出典と根拠

ORDレコード
ord-9592439be5f44f9db1dd4ca077f5168c
出典データセット
uspto-grants-2008_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07411001B2

反応ノート

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