ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Trimethylaluminum → HCID 178489767、化合物

HRID 1911436
ノート
印刷プレビュー

反応式

HRID 1911436 の反応式
C[Al](C)C.[CH3:5][C@H:6]1[N:11]([CH3:12])[C@@H:10]([CH3:13])[CH2:9][N:8]([C:14]2[CH:24]=[CH:23][C:17]([C:18]([O:20]CC)=O)=[CH:16][CH:15]=2)[CH2:7]1.[CH3:25][O:26][C:27]1[CH:28]=[C:29]([CH2:35][CH2:36][C:37]2[CH:38]=[C:39]([NH2:42])[NH:40][N:41]=2)[CH:30]=[C:31]([O:33][CH3:34])[CH:32]=1>C1(C)C=CC=CC=1>[CH3:34][O:33][C:31]1[CH:30]=[C:29]([CH2:35][CH2:36][C:37]2[CH:38]=[C:39]([NH:42][C:18](=[O:20])[C:17]3[CH:16]=[CH:15][C:14]([N:8]4[CH2:9][C@H:10]([CH3:13])[N:11]([CH3:12])[C@H:6]([CH3:5])[CH2:7]4)=[CH:24][CH:23]=3)[NH:40][N:41]=2)[CH:28]=[C:27]([O:26][CH3:25])[CH:32]=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 16682925TrimethylaluminumHCID 57440416ethyl 4-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)benzoateHCID 178489815HCID 178489815、化合物

生成物 1

HCID 178489767HCID 178489767、化合物収率 33.7%

試薬・触媒・溶媒 1

HCID 1140Toluene溶媒2 回

反応条件

温度
60 °C

実験手順

A 2M solution of trimethylaluminium (2.500 mL, 5.00 mmol) in toluene, was added dropwise to a stirred suspension of ethyl 4-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)benzoate (0.643 g, 2 mmol) and 5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-amine (0.495 g, 2.00 mmol) in toluene (10 mL) at room temperature. The solution was then heated at 60° C. for 18 h. The reaction mixture was cooled and quenched with methanol (15 ml) and 2N hydrochloric acid (5 ml). The crude reaction mixture was purified by ion exchange chromatography on a SCX column, eluting with 7N ammonia in methanol. The appropriate fractions were evaporated to give an oil. The crude product was purified by silica column chromatography, eluting with a gradient of 0 to 10% 2.5N ammonia/MeOH in DCM. Pure fractions were evaporated to dryness to afford, on crystallisation from DCM/diethyl ether, the title compound (0.322 g, 33.7%) as a cream solid.

後処理

  1. temperatureThe reaction mixture was cooled
  2. customquenched with methanol (15 ml) and 2N hydrochloric acid (5 ml)
  3. customThe crude reaction mixture
  4. customwas purified by ion exchange chromatography on a SCX column
  5. washeluting with 7N ammonia in methanol
  6. customThe appropriate fractions were evaporated
  7. customto give an oil
  8. customThe crude product was purified by silica column chromatography
  9. washeluting with a gradient of 0 to 10% 2.5N ammonia/MeOH in DCM
  10. customPure fractions were evaporated to dryness
  11. customto afford, on crystallisation from DCM/diethyl ether

出典と根拠

ORDレコード
ord-ebc42faaaf3d4c048ee052bc442fb854
出典データセット
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08604022B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート