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

Methyl 4-aminobenzoate → Methyl 4-{[2-ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butyl]amino}benzoate

HRID 2091180
ノート
印刷プレビュー

反応式

HRID 2091180 の反応式
[CH2:1]([CH:3]([CH2:18][CH3:19])[C:4]([C:6]1[O:7][C:8]2[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[CH:12][C:9]=2[C:10]=1[CH3:11])=O)[CH3:2].[NH2:20][C:21]1[CH:30]=[CH:29][C:24]([C:25]([O:27][CH3:28])=[O:26])=[CH:23][CH:22]=1.C(=O)([O-])O.[Na+].C([BH3-])#N.[Na+]>O1CCCC1.[Ti](Cl)(Cl)(Cl)Cl.C(O)(=O)C.C(Cl)Cl.C(N(CC)CC)C>[CH2:1]([CH:3]([CH2:18][CH3:19])[CH:4]([NH:20][C:21]1[CH:22]=[CH:23][C:24]([C:25]([O:27][CH3:28])=[O:26])=[CH:29][CH:30]=1)[C:6]1[O:7][C:8]2[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[CH:12][C:9]=2[C:10]=1[CH3:11])[CH3:2]
参加物実験手順後処理出典と根拠反応ノート

参加物

10

反応物 4

HCID 12082Methyl 4-aminobenzoateHCID 516892Sodium Bicarbonate2 回HCID 5003444Sodium cyanoborohydrideHCID 667781382-Ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butan-1-one

生成物 1

HCID 66778440Methyl 4-{[2-ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butyl]amino}benzoate収率 59.1%

試薬・触媒・溶媒 5

HCID 24193Titanium Tetrachloride触媒
HCID 176Acetic Acid溶媒
HCID 6344Dichloromethane溶媒
HCID 8028Tetrahydrofuran溶媒
HCID 8471Triethylamine溶媒

実験手順

To a mixture of 2-ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butan-1-one (800 mg) synthesized above, methyl 4-aminobenzoate (464 mg), triethylamine (3.43 mL) and methylene chloride (10 mL) was added titanium (IV) chloride (404 μL), and the mixture was stirred overnight at room temperature under argon atmosphere. Saturated aqueous sodium hydrogen carbonate solution was added to quench the reaction, methylene chloride was evaporated in an evaporator, and the residue was extracted with ethyl acetate. The extract was washed with saturated brine, dried over magnesium sulfate, and concentrated under reduced pressure to give a dark brown oil. To a solution (20 mL) of the obtained oil in tetrahydrofuran were added acetic acid (882 μL) and sodium cyanoborohydride (386 mg), and the mixture was stirred at room temperature for 1.5 hr. Saturated aqueous sodium hydrogen carbonate solution was added to quench the reaction, and the reaction mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (20% ethyl acetate/hexane) to give the title object compound (718 mg, 59%) as a brown oil.

後処理

  1. customto quench
  2. customthe reaction, methylene chloride
  3. customwas evaporated in an evaporator
  4. extractionthe residue was extracted with ethyl acetate
  5. washThe extract was washed with saturated brine
  6. dry with materialdried over magnesium sulfate
  7. concentrationconcentrated under reduced pressure
  8. customto give a dark brown oil
  9. stirringthe mixture was stirred at room temperature for 1.5 hr
  10. customto quench
  11. customthe reaction
  12. extractionthe reaction mixture was extracted with ethyl acetate
  13. washThe extract was washed with saturated brine
  14. dry with materialdried over magnesium sulfate
  15. concentrationconcentrated under reduced pressure
  16. customThe residue was purified by silica gel column chromatography (20% ethyl acetate/hexane)

出典と根拠

ORDレコード
ord-81c7ba37d25842da8f0c9ae801668008
出典データセット
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08436043B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート