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1,2-Dibromoethane → Methyl 2-chloro-3-(1-cyanocyclopropyl)benzoate

HRID 1800653
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HRID 1800653 반응식
[Cl:1][C:2]1[C:11]([CH2:12][C:13]#[N:14])=[CH:10][CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[H-].[Na+].Br[CH2:18][CH2:19]Br.[Cl-].[NH4+]>CS(C)=O>[Cl:1][C:2]1[C:11]([C:12]2([C:13]#[N:14])[CH2:19][CH2:18]2)=[CH:10][CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5]
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참가 물질

6

반응물 4

HCID 78391,2-DibromoethaneHCID 24758Sodium hydrideHCID 25517Ammonium ChlorideHCID 57386575HCID 57386575, 화합물

생성물 1

HCID 67311674Methyl 2-chloro-3-(1-cyanocyclopropyl)benzoate수율 60.1%

시약·촉매·용매 1

HCID 679Dimethyl Sulfoxide용매

실험 절차

A solution of methyl 2-chloro-3-(cyanomethyl)benzoate (20.0 g, 95.3 mmol) in dimethylsulfoxide (200 mL) was cooled to 15° C., 60% sodium hydride (11.6 g, 289 mmol) was added by small portions, and the mixture was stirred at room temperature for 30 min. To the suspension was dropwise added 1,2-dibromoethane (16.5 mL, 191 mmol) at 15° C. over 10 min, and the mixture was stirred at room temperature for 4 hr. To the reaction mixture was added aqueous ammonium chloride solution (200 mL), and the mixture was extracted with diethyl ether/ethyl acetate (1:1, 3×200 mL). The combined organic layer was washed successively with water (200 mL) and saturated brine (100 mL), and dried over anhydrous magnesium sulfate. The insoluble material was filtered off, and the filtrate was concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography (hexane/ethyl acetate=95/5→65/35) to give the title compound (13.5 g, 60%) as a white powder.

후처리

  1. customat 15° C.
  2. customover 10 min
  3. stirringthe mixture was stirred at room temperature for 4 hr
  4. extractionthe mixture was extracted with diethyl ether/ethyl acetate (1:1, 3×200 mL)
  5. washThe combined organic layer was washed successively with water (200 mL) and saturated brine (100 mL)
  6. dry with materialdried over anhydrous magnesium sulfate
  7. filtrationThe insoluble material was filtered off
  8. concentrationthe filtrate was concentrated under reduced pressure
  9. customThe obtained residue was purified by silica gel column chromatography (hexane/ethyl acetate=95/5→65/35)

출처 및 근거

ORD 기록
ord-030fb46d1a974483ac93c2bb99738c68
출처 데이터셋
uspto-grants-2013_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08344135B2

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