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Acetic Acid → 3-Fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HRID 468933
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HRID 468933 반응식
Cl[C:2]1[C:7]([F:8])=[C:6]([CH3:9])[C:5]([B:10]2[O:14][C:13]([CH3:16])([CH3:15])[C:12]([CH3:18])([CH3:17])[O:11]2)=[CH:4][N:3]=1.C(O)(=O)C>C(OCC)(=O)C.[Zn]>[F:8][C:7]1[CH:2]=[N:3][CH:4]=[C:5]([B:10]2[O:14][C:13]([CH3:16])([CH3:15])[C:12]([CH3:18])([CH3:17])[O:11]2)[C:6]=1[CH3:9]
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참가 물질

5

반응물 2

HCID 176Acetic AcidHCID 866749772-Chloro-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

생성물 1

HCID 679764003-Fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

시약·촉매·용매 2

HCID 23994Zinc촉매HCID 8857Ethyl Acetate용매

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온도
60 °C

실험 절차

A mixture of 2-chloro-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (212 mg; 0.7808 mmol), zinc powder (155.3 mg; 2.37 mmol), and acetic acid (3.0 mL; 47 mmol) was heated at 60° C. for 3 hours. The reaction mixture was then cooled to room temperature, diluted with ethyl acetate (30 mL) filtered through celite, and evaporated under vacuum to yield the title compound in quantitative yield. LCMS (ESI): [M-pinacol]+H=156.4; 1H NMR (400 MHz, DMSO) δ 8.55-8.47 (m, 2H), 2.42 (d, J=2.0 Hz, 3H), 1.33 (s, 12H).

후처리

  1. temperatureThe reaction mixture was then cooled to room temperature
  2. filtrationfiltered through celite
  3. customevaporated under vacuum

출처 및 근거

ORD 기록
ord-3ca3c0bb03ab475b9248b2396a863fda
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08623889B2

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