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3-Ethoxy-2-propenoyl chloride → 1,6,7,8,9,10-Hexahydro-2h-azepino[3,2-g]quinolin-2-one

HRID 459711
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HRID 459711 반응식
[NH:1]1[C:7]2[CH:8]=[C:9]([NH2:12])[CH:10]=[CH:11][C:6]=2[CH2:5][CH2:4][CH2:3][CH2:2]1.C([O:15][CH:16]=[CH:17][C:18](Cl)=O)C>C(Cl)Cl.[OH-].[Na+]>[NH:12]1[C:9]2[C:10](=[CH:11][C:6]3[CH2:5][CH2:4][CH2:3][CH2:2][NH:1][C:7]=3[CH:8]=2)[CH:18]=[CH:17][C:16]1=[O:15]
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참가 물질

5

반응물 2

HCID 30144293-Ethoxy-2-propenoyl chlorideHCID 184442212,3,4,5-tetrahydro-1H-benzo[b]azepin-8-amine

생성물 1

HCID 98992441,6,7,8,9,10-Hexahydro-2h-azepino[3,2-g]quinolin-2-one

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 14798Sodium Hydroxide용매

반응 조건

온도
50 °C

실험 절차

A solution of 2,3,4,5-tetrahydro-1H-1-benzazapin-8-amine (0.6 g, 3.4 mmol) and 3-ethoxyacryloyl chloride (0.45 g, 3.4 mmol) in CH2Cl2 (50 mL) and 3N NaOH (10 mL) was stirred for 1 h at ambient temperature. The reaction was partitioned between CH2Cl2 and water. The organic layer was concentrated and the remaining brown oil was dissolved in 70% aq. H2SO4 (20 mL) and heated gently (50° C.) for 2 h. The reaction was cooled and neutralized with aq. NH4OH and partitioned between water and EtOAc. The organic layer was washed with brine, dried over MgSO4, filtered and concentrated. The residue was dissolved in DMF (1 mL) and purified on a GILSON automated system affixed with a YMC COMBIFLASH 50 mm×20 mm reverse phase column eluted 5–95% CH3CN in water at 30 mL/min over 10.5 min to provide pure desired product. HRMS m/z (M+1) calcd 215.1179; found 215.1186.

후처리

  1. customThe reaction was partitioned between CH2Cl2 and water
  2. concentrationThe organic layer was concentrated
  3. dissolutionthe remaining brown oil was dissolved in 70% aq. H2SO4 (20 mL)
  4. temperatureThe reaction was cooled
  5. custompartitioned between water and EtOAc
  6. washThe organic layer was washed with brine
  7. dry with materialdried over MgSO4
  8. filtrationfiltered
  9. concentrationconcentrated
  10. dissolutionThe residue was dissolved in DMF (1 mL)
  11. custompurified on a GILSON automated system
  12. washeluted 5–95% CH3CN in water at 30 mL/min over 10.5 min

출처 및 근거

ORD 기록
ord-f67beddc9b33443db36a36f7388ba7e4
출처 데이터셋
uspto-grants-2007_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07196076B2

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