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1,3-Dichloroacetone → 4-(Chloromethyl)-2-(4-fluorophenyl)-1,3-oxazole

HRID 748008
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HRID 748008 반응식
[F:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH2:8])=[O:7])=[CH:4][CH:3]=1.[Cl:11][CH2:12][C:13]([CH2:15]Cl)=O>C(OCC)(=O)C.CCCCCCC>[Cl:11][CH2:12][C:13]1[N:8]=[C:6]([C:5]2[CH:9]=[CH:10][C:2]([F:1])=[CH:3][CH:4]=2)[O:7][CH:15]=1
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참가 물질

5

반응물 2

HCID 107931,3-DichloroacetoneHCID 715724-Fluorobenzamide

생성물 1

HCID 160382604-(Chloromethyl)-2-(4-fluorophenyl)-1,3-oxazole

시약·촉매·용매 2

HCID 8857Ethyl Acetate용매HCID 8900Heptane용매

실험 절차

At 120° C., 31 g (123 mmol) of p-fluorobenzamide and 33 g (123 mmol) of 1,3-dichloroacetone were stirred in the absence of a solvent for 2 hours. After cooling to room temperature, the product was dissolved in 250 ml of ethyl acetate. This solution was diluted with 400 ml of n-heptane and washed 3 times with saturated NaCl solution. The organic phase was filtered through 250 ml of silica gel, and the filter pad was then washed with 200 ml of n-heptane/ethyl acetate (4:1). The solvent was distilled off, giving 4-chloromethyl-2-(4-fluorophenyl)oxazole 1 as crude product. This was dissolved in 650 ml of acetone, and 90 g of NaI were then added. The mixture was then heated at reflux for 16 hours, most of the solvent was then removed and the solid residue was suspended in 200 ml of n-heptane/ethyl acetate (1:1) and filtered through 200 ml of silica gel. The precipitate was washed with 500 ml of n-heptane/ethyl acetate (1:1), and the organic phase was concentrated. On concentration, the iodide 2 began to crystallize as white crystals. TLC n-heptane/ethyl acetate (6:1) Rf=0.4 for 2 and Rf=0.35 for 1. C10H7FINO (303.08) MS(ESI): 304 (M+H+).

후처리

  1. washwashed 3 times with saturated NaCl solution
  2. filtrationThe organic phase was filtered through 250 ml of silica gel
  3. washthe filter pad was then washed with 200 ml of n-heptane/ethyl acetate (4:1)
  4. distillationThe solvent was distilled off

출처 및 근거

ORD 기록
ord-16a21907d70c4efdbe84bd1fa9c1adb0
출처 데이터셋
uspto-grants-2008_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07399777B2

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