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

Triethylamine → 3-(1-Benzenesulfonyl-1H-indol-5-yl)-but-2-enoic acid methyl ester

HRID 1394616
ノート
印刷プレビュー

反応式

HRID 1394616 の反応式
I[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([S:11]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)(=[O:13])=[O:12])[CH:6]=[CH:5]2.[C:20]([O:25][CH3:26])(=[O:24])/[CH:21]=[CH:22]/[CH3:23].C(N(CC)CC)C.[I-]>CN(C=O)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(OCC)(=O)C.CCCCCC>[CH3:26][O:25][C:20](=[O:24])[CH:21]=[C:22]([C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([S:11]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)(=[O:13])=[O:12])[CH:6]=[CH:5]2)[CH3:23]
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

9

反応物 4

HCID 8471TriethylamineHCID 30165Iodide IonHCID 638132Methyl Crotonate2 回HCID 179527921-benzenesulfonyl-5-iodo-1H-indole

生成物 1

HCID 692189243-(1-Benzenesulfonyl-1H-indol-5-yl)-but-2-enoic acid methyl ester収率 109.6%

試薬・触媒・溶媒 4

HCID 167845
palladium(II) acetate
触媒
HCID 6228Dimethylformamide溶媒
HCID 8058Hexane溶媒
HCID 8857Ethyl Acetate溶媒

反応条件

温度
100 °C

実験手順

5-Iodo-N-benzenesulfonylindole (18.09 g, 47 mmol), methyl crotonate (40 mL, 378 mmol), triethylamine (145 mL), and palladium acetate (2.65 g, 11.8 mmol) were combined in DMF (600 mL). The reaction was heated at 100° C. for 4 h. TLC (3:1) hexane:ethyl acetate showed iodide still present. Methyl crotonate (25 mL) and dichlorobis(triphenylphosphine) palladium(II) (3.31 g, 4.7 mmol) was added. The reaction was heated for an additional 4 h and then at room temperature for 13 h at which time starting material was virtually gone. The solids were allowed to settle and most of the liquid decanted off. The remaining portion was filtered through a pad of celite to remove the solids and the volume reduced somewhat in vacuo. The solution was diluted with water (1 L) and washed with diethyl ether (3×500 mL). The organic portion was washed with 1N HCl (2×500 mL), brine (2×500 mL), dried (MgSO4), filtered and evaporated in vacuo to provide 18.3 g of a dark brown oil. The material was purified preparatively in two runs on a Waters 2000LC using a gradient elution of (98:2) ethyl acetate:hexane to 66:34 ethyl acetate:hexane to give 6.79 g (40%). Mp: 80-85° C.

後処理

  1. temperatureThe reaction was heated for an additional 4 h
  2. customdecanted off
  3. filtrationThe remaining portion was filtered through a pad of celite
  4. customto remove the solids
  5. additionThe solution was diluted with water (1 L)
  6. washwashed with diethyl ether (3×500 mL)
  7. washThe organic portion was washed with 1N HCl (2×500 mL), brine (2×500 mL)
  8. dry with materialdried (MgSO4)
  9. filtrationfiltered
  10. customevaporated in vacuo

出典と根拠

ORDレコード
ord-eb3718d4f3f342bcb25602f0ee9556e2
出典データセット
uspto-grants-2008_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07348359B2

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