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N,N-Dimethylaniline → 3,5-Dibromo-4-chloro-2,6-dimethylpyridine

HRID 718332
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HRID 718332 반응식
Br.[Br:2][C:3]1[C:4]([CH3:12])=[N:5][C:6]([CH3:11])=[C:7]([Br:10])[C:8]=1O.O=P(Cl)(Cl)[Cl:15].CN(C)C1C=CC=CC=1>CCOCC>[Br:2][C:3]1[C:4]([CH3:12])=[N:5][C:6]([CH3:11])=[C:7]([Br:10])[C:8]=1[Cl:15]
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참가 물질

5

반응물 3

HCID 949N,N-DimethylanilineHCID 24813Phosphorus oxychlorideHCID 178419521HCID 178419521, 화합물

생성물 1

HCID 35891123,5-Dibromo-4-chloro-2,6-dimethylpyridine수율 63.3%

시약·촉매·용매 1

HCID 3283Diethyl Ether용매

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온도
130 °C

실험 절차

A 500-mL RB-flask was charged with solid 3,5-dibromo-2,6-dimethylpyridin-4-ol, hydrobromide (94 g, 260 mmol) and POCl3 (150 ml, 1609 mmol) was added. To this white slurry was added N,N-dimethylaniline (39.5 ml, 312 mmol) and the reaction mixture was heated to 130° C. (oil bath temp). After stirring for 2 h, the reaction mixture was cooled, concentrated and the brown residue taken up in toluene (100 mL) and concentrated to remove any unreacted POCl3. Then, the residue was treated with ice (250 g) for 30 min and carefully neutralized with powder Na2CO3, extracted with CH2Cl2 (3×250 mL). The combined organic layers dried (MgSO4/C), filtered, concentrated to give slurry which was dissolved in ether (500 mL), filtered through a plug of silica gel. The silica gel pad was washed with 1:1 Ether/Hex (1.5-lit). The filtrate was concentrated to give white slurry which was triturated with hexanes (200 mL) and left in the freezer (−10° C., 2 h). The liquid was decanted and solids were rinsed with cold hexanes (4×50 mL) and dried overnight under high vacuum (required to remove dimethylaniline) to afford 3,5-dibromo-4-chloro-2,6-dimethylpyridine (49.2 g, 164 mmol, 63.3% yield) as pale greenish-yellow solid. The decanted solvent was concentrated and purified by flash chromatography using 1-lit each hexanes, 0.5, 1, 2 and 5% EtOAc/Hex to afford additional 3,5-dibromo-4-chloro-2,6-dimethylpyridine (18.763 g, 62.7 mmol, 24.13% yield) as greenish-yellow solid. 1H NMR (500 MHz, CDCl3) δ 2.59 (s, 6H). LCMS (M+H)=300.0.

후처리

  1. additionwas added
  2. temperaturethe reaction mixture was cooled
  3. concentrationconcentrated
  4. concentrationconcentrated
  5. customto remove any unreacted POCl3
  6. additionThen, the residue was treated with ice (250 g) for 30 min
  7. extractionextracted with CH2Cl2 (3×250 mL)
  8. dry with materialThe combined organic layers dried (MgSO4/C)
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customto give slurry which
  12. filtrationfiltered through a plug of silica gel
  13. washThe silica gel pad was washed with 1:1 Ether/Hex (1.5-lit)
  14. concentrationThe filtrate was concentrated
  15. customto give white slurry which
  16. customwas triturated with hexanes (200 mL)
  17. waitleft in the freezer (−10° C., 2 h)
  18. customThe liquid was decanted
  19. washsolids were rinsed with cold hexanes (4×50 mL)
  20. dry with materialdried overnight under high vacuum (required to remove dimethylaniline)

출처 및 근거

ORD 기록
ord-6f4c70de99524c62858b3bc7b16fa853
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09193720B2

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