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Phosphorus oxychloride → 2-Chloro-5-(chloromethyl)-3-(trifluoromethyl)pyridine

HRID 2274064
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HRID 2274064 반응식
[Cl:1][CH2:2][C:3]1[CH:4]=[C:5]([C:11]([F:14])([F:13])[F:12])[C:6](OC)=[N:7][CH:8]=1.O=P(Cl)(Cl)[Cl:17]>CN(C=O)C>[Cl:17][C:6]1[C:5]([C:11]([F:14])([F:13])[F:12])=[CH:4][C:3]([CH2:2][Cl:1])=[CH:8][N:7]=1
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참가 물질

4

반응물 2

HCID 24813Phosphorus oxychlorideHCID 534390555-(Chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine

생성물 1

HCID 116155492-Chloro-5-(chloromethyl)-3-(trifluoromethyl)pyridine수율 65.4%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

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온도
100 °C

실험 절차

To a cold solution of 5-(chloromethyl)-2-methoxy-3-(trifluoromethyl)pyridine (0.3 g, 1.33 mmol) in DMF (0.6 mL) was added dropwise POCl3 (1.02 g, 6.65 mmol). The reaction was stirred for 1 h at 100° C. in a sealed tube. The reaction was cooled to room temperature, and poured onto ice water (10 mL). The reaction was extracted with DCM (thrice) and the combined organic layer was washed with water and brine, dried with MgSO4 and concentrated. The residue was purified by silica gel column chromatography to provide the title compound (0.20 g). LCMS m/z=230.1 [M+H]+. 1H NMR (400 MHz, CDCl3) δ ppm 4.62 (s, 2H), 8.06 (d, J=2.3 Hz, 1H), 8.57 (d, J=2.3 Hz, 1H).

후처리

  1. temperatureThe reaction was cooled to room temperature
  2. additionpoured onto ice water (10 mL)
  3. extractionThe reaction was extracted with DCM (thrice)
  4. washthe combined organic layer was washed with water and brine
  5. dry with materialdried with MgSO4
  6. concentrationconcentrated
  7. customThe residue was purified by silica gel column chromatography

출처 및 근거

ORD 기록
ord-b1ffeb0d845a4694973cfbac2811b408
출처 데이터셋
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09126932B2

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