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Methylhydrazine → 3-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-5-(diethoxymethyl)-1-methyl-1H-pyrazole

HRID 1774601
ノート
印刷プレビュー

反応式

HRID 1774601 の反応式
[S:1]1[C:5]([C:6](Cl)=O)=[CH:4][C:3]2[CH2:9][CH2:10][CH2:11][C:2]1=2.C(N(CC)CC)C.[CH2:19]([O:21][CH:22]([O:25][CH2:26][CH3:27])[C:23]#[CH:24])[CH3:20].[CH3:28][NH:29][NH2:30]>O1CCOCC1.C(O)C.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu](I)I>[S:1]1[C:5]([C:6]2[CH:24]=[C:23]([CH:22]([O:25][CH2:26][CH3:27])[O:21][CH2:19][CH3:20])[N:29]([CH3:28])[N:30]=2)=[CH:4][C:3]2[CH2:9][CH2:10][CH2:11][C:2]1=2
参加物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 6061MethylhydrazineHCID 8471TriethylamineHCID 662853,3-DiethoxypropyneHCID 190880195,6-Dihydro-4H-cyclopenta[b]thiophene-2-carbonyl chloride

生成物 1

HCID 900924713-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-5-(diethoxymethyl)-1-methyl-1H-pyrazole収率 75.3%

試薬・触媒・溶媒 4

HCID 83717
Copper iodide
触媒
HCID 178418476HCID 178418476、化合物触媒
HCID 702Ethanol溶媒
HCID 312751,4-Dioxane溶媒

実験手順

A solution of 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl chloride (1.75 g, 9.36 mmol) in anhydrous dioxane (20 mL) was bubbled with argon for 10 minutes. Triethylamine (3.27 mL, 23.41 mmol) was added and the bubbling was maintained for 5 minutes. Bis(triphenylphosphine)palladium(II) dichloride (219 mg, 0.31 mmol), copper iodide (119 mg, 0.62 mmol) and propargylaldehyde diethyl acetal (1.12 mL, 7.80 mmol) were added, and the reaction mixture was stirred for 2 hours at room temperature, under argon atmosphere. The solution was filtered and water (20 mL) was added to the filtrate. Layers were separated, and the aqueous layer was extracted with dichloromethane (2×20 mL). The combined organic layers were washed with a saturated solution of sodium hydrogenocarbonate (20 mL), dried over sodium sulfate and concentrated in vacuo. The residue was added to a solution of methylhydrazine (0.82 mL, 15.6 mmol) in ethanol (80 mL). The reaction mixture was stirred overnight at room temperature, concentrated in vacuo and dissolved in ethyl acetate (20 mL). The organic layer was successively washed with water (20 mL) and brine (20 mL) before being dried over sodium sulfate and concentrated in vacuo. The residue was purified by flash chromatography on silica gel (cyclohexane/ethyl acetate 100/0 to 90/10) to provide 3-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-5-(diethoxymethyl)-1-methyl-1H-pyrazole (37a) (1.80 g, 5.87 mmol, 75%).

後処理

  1. temperaturethe bubbling was maintained for 5 minutes
  2. filtrationThe solution was filtered
  3. additionwater (20 mL) was added to the filtrate
  4. customLayers were separated
  5. extractionthe aqueous layer was extracted with dichloromethane (2×20 mL)
  6. washThe combined organic layers were washed with a saturated solution of sodium hydrogenocarbonate (20 mL)
  7. dry with materialdried over sodium sulfate
  8. concentrationconcentrated in vacuo
  9. stirringThe reaction mixture was stirred overnight at room temperature
  10. concentrationconcentrated in vacuo
  11. dissolutiondissolved in ethyl acetate (20 mL)
  12. washThe organic layer was successively washed with water (20 mL) and brine (20 mL)
  13. dry with materialbefore being dried over sodium sulfate
  14. concentrationconcentrated in vacuo
  15. customThe residue was purified by flash chromatography on silica gel (cyclohexane/ethyl acetate 100/0 to 90/10)

出典と根拠

ORDレコード
ord-8c3b765f3da441e9a5cd4d7effbadc51
出典データセット
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09260395B2

反応ノート

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