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p-Toluenesulfonic acid → HCID 59442735、化合物

HRID 388241
ノート
印刷プレビュー

反応式

HRID 388241 の反応式
Cl[C:2]1[N:7]=[C:6]([NH:8][CH:9]2[CH2:14][C:13]([CH3:16])([CH3:15])[NH:12][C:11]([CH3:18])([CH3:17])[CH2:10]2)[C:5]([F:19])=[CH:4][N:3]=1.[CH:20]1([C:23]2[CH:24]=[C:25]([NH2:34])[CH:26]=[C:27]([N:29]3[CH:33]=[N:32][N:31]=[N:30]3)[CH:28]=2)[CH2:22][CH2:21]1.S(O)(C1C=CC(C)=CC=1)(=O)=O>C(O)(C)C>[CH:20]1([C:23]2[CH:24]=[C:25]([NH:34][C:2]3[N:7]=[C:6]([NH:8][CH:9]4[CH2:14][C:13]([CH3:16])([CH3:15])[NH:12][C:11]([CH3:18])([CH3:17])[CH2:10]4)[C:5]([F:19])=[CH:4][N:3]=3)[CH:26]=[C:27]([N:29]3[CH:33]=[N:32][N:31]=[N:30]3)[CH:28]=2)[CH2:22][CH2:21]1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 6101p-Toluenesulfonic acidHCID 59442725HCID 59442725、化合物2 回HCID 59442743HCID 59442743、化合物

生成物 1

HCID 59442735HCID 59442735、化合物

試薬・触媒・溶媒 1

HCID 3776Isopropanol溶媒

反応条件

温度
100 °C

実験手順

In a 100 mL round bottom flask to a solution of 2-chloro-5-fluoro-N-(2,2,6,6,-tetramethylpiperidin-4-yl)pyrimidin-4-amine (Compound 11; 0.16 g, 0.56 mmol) in 10 mL isopropanol, 3-cyclopropyl-5-(1H-tetrazol-1-yl)benzenamine (0.125 g, 0.622 mmol) and TosOH (0.085 g, 0.448 mmol) were added. The reaction mixture was heated at 100° C. for 3 hours. LCMS analysis indicated the complete consumption of the mono-SNAr product and appearance of Compound III-116. The reaction mixture was then cooled to room temperature and volatiles were removed under reduced pressure. The crude reaction mixture was purified by column chromatography using DCM/2 M NH3 in MeOH to obtain Compound III-116 as a tan solid that was further purified by trituration using DCM/hexanes.

後処理

  1. customthe complete consumption of the mono-SNAr product and appearance of Compound III-116
  2. temperatureThe reaction mixture was then cooled to room temperature
  3. customvolatiles were removed under reduced pressure
  4. customThe crude reaction mixture
  5. customwas purified by column chromatography
  6. customto obtain Compound III-116 as a tan solid
  7. customthat was further purified by trituration

出典と根拠

ORDレコード
ord-cd72c06954d144858119285c462a1a34
出典データセット
uspto-grants-2013_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08377924B2

反応ノート

読み込み中…

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