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Iodine → 1-(3-(dimethylamino)propyl)-4-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)pyridin-2(1H)-one

HRID 626203
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HRID 626203 반응식
II.C(Br)C.Br[C:7]1[CH:19]=[CH:18][C:10]([O:11][CH:12]2[CH2:17][CH2:16][CH2:15][CH2:14][O:13]2)=[CH:9][CH:8]=1.[CH3:20][N:21]([CH3:38])[CH2:22][CH2:23][CH2:24][N:25]1[CH:30]=[CH:29][C:28]([C:31](N(OC)C)=[O:32])=[CH:27][C:26]1=[O:37]>C1COCC1>[CH3:38][N:21]([CH3:20])[CH2:22][CH2:23][CH2:24][N:25]1[CH:30]=[CH:29][C:28]([C:31](=[O:32])[C:7]2[CH:19]=[CH:18][C:10]([O:11][CH:12]3[CH2:17][CH2:16][CH2:15][CH2:14][O:13]3)=[CH:9][CH:8]=2)=[CH:27][C:26]1=[O:37]
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참가 물질

6

반응물 4

HCID 807IodineHCID 6332Ethyl BromideHCID 46464362-(4-Bromophenoxy)tetrahydro-2H-pyran2회HCID 896728791-(3-(dimethylamino)propyl)-N-methoxy-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide

생성물 1

HCID 896574441-(3-(dimethylamino)propyl)-4-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)pyridin-2(1H)-one수율 80%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매3회

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온도
55 °C

실험 절차

Mg (440 mg, 3.5 eq) was added to a 3-neck round bottom flask containing 50 mL anhydrous THF, and the mixture was heated to 55° C. Iodine chips (2 grains) were added in one lot followed by 0.1 mL ethyl bromide. 2-(4-Bromophenoxy)-tetrahydro-2H-pyran (4.0 g, 3.0 eq) was dissolved in 30 mL anhydrous THF, and 3 mL of this solution was added at once to the Mg-THF suspension. The reaction was initiated after 30 min and reflux started. the remaining solution of 2-(4-bromophenoxy)-tetrahydro-2H-pyran was added dropwise maintaining the reflux temperature over 5 min. After addition, the reaction mixture was further reflux for 2 h., cooled to rt, 1-(3-(dimethylamino)propyl)-N-methoxy-N-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxamide (1.4 g, 1.0 eq) in 20 mL THF was added dropwise at rt, stirred at rt for 30 min., quenched with sat NH4Cl (aq), and extracted with EtOAc. The extract was dried, concentrated, and purified by column chromatography to give the desired product (1.6 g, 80% yield). 1H NMR (400 MHz, CDCl3) δ 7.85 (d, J=9.2 Hz, 2H), 7.48 (d, J=6.8 Hz, 1H), 7.11 (d, J=9.2 Hz, 2H), 6.75 (d, J=1.6 Hz, 1H), 6.44 (dd, J=6.8 Hz, 2.0 Hz, 1H), 5.55 (t, J=2.8 Hz, 1H), 4.05 (t, J=7.2 Hz, 2H), 3.82-3.88 (m, 1H), 3.62-3.66 (m, 1H), 2.32 (t, J=6.4 Hz, 2H), 2.24 (s, 6H), 1.88-2.08 (m, 5H), 1.62-1.74 (m, 4H).

후처리

  1. temperaturereflux
  2. temperaturemaintaining the reflux temperature over 5 min
  3. additionAfter addition
  4. temperaturethe reaction mixture was further reflux for 2 h.
  5. temperaturecooled to rt
  6. customquenched with sat NH4Cl (aq)
  7. extractionextracted with EtOAc
  8. customThe extract was dried
  9. concentrationconcentrated
  10. custompurified by column chromatography

출처 및 근거

ORD 기록
ord-9d1b8c308def4c5f8d455763181f548c
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09309211B2

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