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

Ethyl Acetate → rac-(4S*,5R*)-2-(4-Bromo-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole

HRID 2263958
ノート
印刷プレビュー

反応式

HRID 2263958 の反応式
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([CH3:34])[C:12]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=3)([CH3:13])[NH:11][C:10]([C:21]3[CH:26]=[CH:25][C:24](C(C)(C)C)=[CH:23][C:22]=3[O:31][CH2:32][CH3:33])=[N:9]2)=[CH:4][CH:3]=1.C[Al](C)C.C(OC(=O)C1C=CC([Br:49])=CC=1OCC)C.C(OCC)(=O)C>C1(C)C=CC=CC=1>[Br:49][C:24]1[CH:25]=[CH:26][C:21]([C:10]2[NH:11][C:12]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=3)([CH3:13])[C:8]([C:5]3[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=3)([CH3:34])[N:9]=2)=[C:22]([O:31][CH2:32][CH3:33])[CH:23]=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

6

反応物 4

HCID 8857Ethyl AcetateHCID 16682925TrimethylaluminumHCID 53628801rac-(4S*,5R*)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazoleHCID 588942214-Bromo-2-ethoxy-benzoic acid ethyl ester

生成物 1

HCID 68683683rac-(4S*,5R*)-2-(4-Bromo-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
収率 103.6%

試薬・触媒・溶媒 1

HCID 1140Toluene溶媒3 回

反応条件

温度
0 °C

実験手順

To a solution of meso-2,3-bis-(4-chlorophenyl)-2,3-butanediamine (3 g, example 1) in toluene cooled to 0° C. was added dropwise 2 M solution of trimethylaluminum in toluene (5.33 mL, 10.66 mmol). After the addition, the mixture was stirred at 0° C. for 15 min then the ice bath was removed. After 30 min, the mixture was warmed up to 80-100° C. for about 30 min before being slowly cooled down to room temperature. At room temperature, a solution of 4-bromo-2-ethoxy-benzoic acid ethyl ester (3.18 g, 11.64 mmol) in toluene (10 mL) was added, and the yellow reaction mixture was heated at reflux for 48 h. Upon cooling to room temperature, 1 M Rochelle solution (˜20 mL) and ethyl acetate (˜50 mL) were added. The biphasic mixture was stirred rigorously at room temperature for 3 h. The layers were separated and the aqueous layer was extracted with ethyl acetate (1×100 mL). The combined organic layers were washed with saturated solution of sodium bicarbonate (1×20 mL), brine (1×20 mL), dried over anhydrous sodium sulfate. The solids were filtered off and the filtrate was concentrated to dryness. Purification of the crude residue by flash chromatography (120 g of silica gel, eluting with 5-10%, 20%, 40% then 80% ethyl acetate in hexane) gave the title compound as light yellow foam (3.25 g, 65%). HR-MS (ES, m/z) calculated for C25H24N2OCl2Br [(M+H)+] 517.0444, observed 517.0443.

後処理

  1. additionAfter the addition
  2. customthe ice bath was removed
  3. waitAfter 30 min
  4. temperaturethe mixture was warmed up to 80-100° C. for about 30 min
  5. temperaturebefore being slowly cooled down to room temperature
  6. temperaturethe yellow reaction mixture was heated
  7. temperatureat reflux for 48 h
  8. temperatureUpon cooling to room temperature
  9. stirringThe biphasic mixture was stirred rigorously at room temperature for 3 h
  10. customThe layers were separated
  11. extractionthe aqueous layer was extracted with ethyl acetate (1×100 mL)
  12. washThe combined organic layers were washed with saturated solution of sodium bicarbonate (1×20 mL), brine (1×20 mL)
  13. dry with materialdried over anhydrous sodium sulfate
  14. filtrationThe solids were filtered off
  15. concentrationthe filtrate was concentrated to dryness
  16. customPurification of the crude residue by flash chromatography (120 g of silica gel
  17. washeluting with 5-10%, 20%, 40%

出典と根拠

ORDレコード
ord-5926cdb087b1440fba364f301e6d4caf
出典データセット
uspto-grants-2010_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07851626B2

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