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Diethyl Malonate → Diethyl 2-(2-(3-chlorophenyl)-2-methylpropanoyl)malonate

HRID 2078155
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HRID 2078155 반응식
[C:1]([O:9][CH2:10][CH3:11])(=[O:8])[CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].[Mg+2].[Cl-].[Cl-].[Cl:15][C:16]1[CH:17]=[C:18]([C:22]([CH3:27])([CH3:26])[C:23](Cl)=[O:24])[CH:19]=[CH:20][CH:21]=1.C([O-])(=O)CC([O-])=O>C(#N)C>[Cl:15][C:16]1[CH:17]=[C:18]([C:22]([CH3:27])([CH3:26])[C:23]([CH:2]([C:3]([O:5][CH2:6][CH3:7])=[O:4])[C:1]([O:9][CH2:10][CH3:11])=[O:8])=[O:24])[CH:19]=[CH:20][CH:21]=1
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참가 물질

6

반응물 4

HCID 7761Diethyl MalonateHCID 9084Malonate IonHCID 5360315Magnesium ChlorideHCID 139875312-(3-Chlorophenyl)-2-methylpropanoyl chloride

생성물 1

HCID 67099549Diethyl 2-(2-(3-chlorophenyl)-2-methylpropanoyl)malonate수율 104.5%

시약·촉매·용매 1

HCID 6342
Acetonitrile
용매
2회

반응 조건

온도
0 °C

실험 절차

Diethyl malonate (3.72 mL, 24.6 mmol) in ACN (50 mL) was cooled to 0° C. MgCl2 (2.34 g, 24.6 mmol) was added, followed by addition of TEA (7.18 mL, 51.7 mmol) slowly via syringe. The mixture was stirred at 0° C. for 15 minutes before being brought to room temperature and stirred for 2.5 hours. 2-(3-Chlorophenyl)-2-methylpropanoyl chloride (5.69 g, 24.6 mmol) was dissolved in ACN (20 mL) and added to the malonate solution. The reaction mixture was then stirred at 50° C. for 16 hours. The reaction mixture was cooled to room temperature, concentrated in vacuo, and partitioned between 1M HCl and EtOAc. The aqueous layer was separated and extracted with EtOAc (2×). The combined organic layers were dried (MgSO4) and concentrated in vacuo to give the desired compound as a brown oil (8.76 g). MS (m/e)=341.2 (M+H)+.

후처리

  1. custombefore being brought to room temperature
  2. stirringstirred for 2.5 hours
  3. stirringThe reaction mixture was then stirred at 50° C. for 16 hours
  4. temperatureThe reaction mixture was cooled to room temperature
  5. concentrationconcentrated in vacuo
  6. custompartitioned between 1M HCl and EtOAc
  7. customThe aqueous layer was separated
  8. extractionextracted with EtOAc (2×)
  9. dry with materialThe combined organic layers were dried (MgSO4)
  10. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-9c4d180571854b2a9341b5b54473501b
출처 데이터셋
uspto-grants-2011_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07928139B2

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