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

HRID 2091281
ノート
印刷プレビュー

反応式

HRID 2091281 の反応式
[CH2:1]([CH:3]([CH2:16][CH3:17])[C:4]([C:6]1[S:7][C:8]2[CH:15]=[CH:14][CH:13]=[CH:12][C:9]=2[C:10]=1[CH3:11])=O)[CH3:2].[NH2:18][C:19]1[CH:28]=[CH:27][C:22]([C:23]([O:25][CH3:26])=[O:24])=[CH:21][CH:20]=1.C(=O)([O-])O.[Na+].C([BH3-])#N.[Na+]>C(Cl)Cl.O1CCCC1.[Ti](Cl)(Cl)(Cl)Cl.C(O)(=O)C.C(N(CC)CC)C>[CH2:1]([CH:3]([CH2:16][CH3:17])[CH:4]([NH:18][C:19]1[CH:20]=[CH:21][C:22]([C:23]([O:25][CH3:26])=[O:24])=[CH:27][CH:28]=1)[C:6]1[S:7][C:8]2[CH:15]=[CH:14][CH:13]=[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-aminobenzoate2 回HCID 516892Sodium Bicarbonate3 回HCID 5003444Sodium cyanoborohydrideHCID 66777378HCID 66777378、化合物

生成物 1

HCID 66777962Methyl 4-{[2-ethyl-1-(3-methyl-1-benzothiophen-2-yl)butyl]amino}benzoate収率 23%

試薬・触媒・溶媒 5

HCID 24193
Titanium Tetrachloride
触媒
2 回
HCID 176Acetic Acid溶媒
HCID 6344Dichloromethane溶媒3 回
HCID 8028Tetrahydrofuran溶媒
HCID 8471Triethylamine溶媒2 回

実験手順

To a mixture of 2-ethyl-1-(3-methyl-1-benzothiophen-2-yl)butan-1-one (1.65 g) synthesized above, methyl 4-aminobenzoate (1.15 g), triethylamine (7.47 mL) and methylene chloride (15 mL) was added a 1.0M solution (8.04 mL) of titanium (IV) chloride in methylene chloride, and the mixture was stirred under argon atmosphere overnight at room temperature. 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 mixture of the obtained oil, methyl 4-aminobenzoate (506 mg), triethylamine (7.47 mL) and methylene chloride (30 mL) was added titanium (IV) chloride (882 μL), and the mixture was stirred under argon atmosphere overnight at room temperature. 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 to give a dark brown oil. To a solution (30 mL) of the obtained oil in tetrahydrofuran were added acetic acid (797 μL) and sodium cyanoborohydride (842 mg) and the mixture was stirred at room temperature stirred for 1.5 hr. Saturated aqueous sodium hydrogen carbonate solution was added to quench the reaction, the organic solvent 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. The residue was purified by silica gel column chromatography (10-40% ethyl acetate/hexane) to give the title object compound (580 mg, 23%) as a pale-brown solid.

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 under argon atmosphere overnight at room temperature
  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. customto give a dark brown oil
  17. stirringthe mixture was stirred at room temperature
  18. stirringstirred for 1.5 hr
  19. customto quench
  20. customthe reaction
  21. customthe organic solvent was evaporated in an evaporator
  22. extractionthe residue was extracted with ethyl acetate
  23. washThe extract was washed with saturated brine
  24. dry with materialdried over magnesium sulfate
  25. concentrationconcentrated under reduced pressure
  26. customThe residue was purified by silica gel column chromatography (10-40% ethyl acetate/hexane)

出典と根拠

ORDレコード
ord-3a826571243d4cc8ac04201abc7f6941
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

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