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

HRID 1774601
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HRID 1774601 반응식
[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
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 4

HCID 6061MethylhydrazineHCID 8471TriethylamineHCID 662853,3-DiethoxypropyneHCID 190880195,6-Dihydro-4H-cyclopenta[b]thiophene-2-carbonyl chloride

생성물 1

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

시약·촉매·용매 4

HCID 83717
Copper iodide
촉매
HCID 178418476HCID 178418476, 화합물촉매
HCID 702Ethanol용매
HCID 312751,4-Dioxane용매

실험 절차

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%).

후처리

  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)

출처 및 근거

ORD 기록
ord-8c3b765f3da441e9a5cd4d7effbadc51
출처 데이터셋
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09260395B2

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