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Trimethyl borate → Dimethyl[5-(benzyloxy)-1-(biphenyl-3-yl)-4-oxo-1,4-dihydropyridin-3-yl]boronate

HRID 571051
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HRID 571051 반응식
[Cl-].[Li+].[CH2:3]([O:10][C:11]1[C:16](=[O:17])[C:15](Br)=[CH:14][N:13]([C:19]2[CH:20]=[C:21]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[CH:22]=[CH:23][CH:24]=2)[CH:12]=1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[CH3:31][O:32][B:33](OC)[O:34][CH3:35]>C1COCC1>[CH3:31][O:32][B:33]([C:15]1[C:16](=[O:17])[C:11]([O:10][CH2:3][C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=2)=[CH:12][N:13]([C:19]2[CH:20]=[C:21]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[CH:22]=[CH:23][CH:24]=2)[CH:14]=1)[O:34][CH3:35]
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참가 물질

5

반응물 3

HCID 8470Trimethyl borateHCID 433294Lithium ChlorideHCID 674201973-(benzyloxy)-1-(biphenyl-3-yl)-5-bromopyridin-4(1H)-one

생성물 1

HCID 67404775Dimethyl[5-(benzyloxy)-1-(biphenyl-3-yl)-4-oxo-1,4-dihydropyridin-3-yl]boronate

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

Lithium chloride (515 mg, 12.1 mmol) in a 25 mL round bottom flask under high vacuum was heated with a heat gun until a free flowing granular solid was obtained (˜5 min). The flask was cooled to room temperature, purged with N2, and treated with isopropylmagnesium chloride (6.1 mL of a 2 M solution in THF). After stirring at room temperature for 1 h, the mixture was cooled to −10° C. and treated with 3-(benzyloxy)-1-(biphenyl-3-yl)-5-bromopyridin-4(1H)-one (1.05 g, 2.4 mmol) as a suspension in 3.5 mL of THF. After stirring for 0.5 h, trimethylborate (1.35 mL, 12.1 mmol) was added dropwise and the reaction mixture was stirred an additional 3.5 h, before being quenched with the addition of MeOH (12 mL) to provide a solution of crude dimethyl[5-(benzyloxy)-1-(biphenyl-3-yl)-4-oxo-1,4-dihydropyridin-3-yl]boronate which was used directly in the subsequent step. LC/MS (M+H)+ 398. The solution of crude dimethyl[5-(benzyloxy)-1-(biphenyl-3-yl)-4-oxo-1,4-dihydropyridin-3-yl]boronate (2.4 mmol) in THF/MeOH from the preceeding step and 10% Pd/C (52 mg, 0.49 mmol) was stirred under H2 (1 atm) for 18 h. The reaction mixture was diluted with MeOH (20 mL), filtered through a pad of Celite (MeOH wash), and concentrated under reduced pressure. The residue was diluted with DMF (10 mL) and 0.5 M aq, HCl (0.4 mL) and purified by reversed phase HPLC (2 cm×5 cm C18, acetonitrile-water gradient, 0.05% TFA added, fractions were lypholized) to provide [1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid. 1H NMR (599 MHz, DMSO, 75° C.): δ 8.19 (d, J=2.3 Hz, 1 H); 7.89 (d, J=2.3 Hz, 1 H); 7.83 (s, 1 H); 7.79-7.74 (m, 3 H); 7.67-7.61 (m, 1 H); 7.56 (d, J=8.1 Hz, 1 H); 7.49 (t, J=7.6 Hz, 2 H); 7.46-7.38 (m, 1 H). HRMS (ES) Calc (M+H)+ 308.1089. Found 308.1092.

후처리

  1. customwas obtained (˜5 min)
  2. custompurged with N2
  3. additiontreated with isopropylmagnesium chloride (6.1 mL of a 2 M solution in THF)
  4. temperaturethe mixture was cooled to −10° C.
  5. stirringAfter stirring for 0.5 h
  6. stirringthe reaction mixture was stirred an additional 3.5 h
  7. custombefore being quenched with the addition of MeOH (12 mL)

출처 및 근거

ORD 기록
ord-338befde0338430c9867781b243cba01
출처 데이터셋
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09024032B2

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