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Sodium hydride → N-(3-acetyl-benzo[b]thiophen-2-yl)-N-(4-fluoro-3-trifluoromethyl-benzyl)-ethanesulfonamide

HRID 1511501
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HRID 1511501 반응식
[H-].[Na+].[C:3]([C:6]1[C:7]2[CH:20]=[CH:19][CH:18]=[CH:17][C:8]=2[S:9][C:10]=1[NH:11][S:12]([CH2:15][CH3:16])(=[O:14])=[O:13])(=[O:5])[CH3:4].[F:21][C:22]1[CH:29]=[CH:28][C:25]([CH2:26]Br)=[CH:24][C:23]=1[C:30]([F:33])([F:32])[F:31].C1OCCOCCOCCOCCOC1>CN(C=O)C.O>[C:3]([C:6]1[C:7]2[CH:20]=[CH:19][CH:18]=[CH:17][C:8]=2[S:9][C:10]=1[N:11]([CH2:26][C:25]1[CH:28]=[CH:29][C:22]([F:21])=[C:23]([C:30]([F:33])([F:31])[F:32])[CH:24]=1)[S:12]([CH2:15][CH3:16])(=[O:13])=[O:14])(=[O:5])[CH3:4]
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HCID 24758Sodium hydrideHCID 3633615-Crown-5HCID 27375774-Fluoro-3-(trifluoromethyl)benzyl bromide2회HCID 57920498N-(3-acetyl-benzo[b]thiophen-2-yl)-ethanesulfonamide

생성물 1

HCID 57920447N-(3-acetyl-benzo[b]thiophen-2-yl)-N-(4-fluoro-3-trifluoromethyl-benzyl)-ethanesulfonamide

시약·촉매·용매 2

HCID 962
Water
용매
HCID 6228Dimethylformamide용매

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온도
0 °C

실험 절차

Sodium hydride (60% in oil, 46 mg, 1.15 mmol) was added to a solution of N-(3-acetyl-benzo[b]thiophen-2-yl)-ethanesulfonamide (310 mg, 1.09 mmol) in DMF (4 mL), at 0° C. The resulting mixture was stirred at 0° C. for 15 min, to which was added 4-fluoro-3-trifluoromethylbenzyl bromide (253 μL, 1.33 mmol) and the resulting mixture stirred at ambient temperature for 2 h. 15-Crown-5 ether (220 μL, 1.33 mmol) and an additional equivalent of 4-fluoro-3-trifluoromethylbenzyl bromide was then added. The resulting solution was stirred at ambient temperature overnight, water was then added, and the desired product extracted into ethyl acetate. The organic phase was washed with water (3×), brine, dried over sodium sulfate, filtered, and the solvent evaporated in vacuo to yield a residue. The residue was purified by flash column chromatography (SiO2), eluting with an ethyl acetate-heptane gradient to yield N-(3-acetyl-benzo[b]thiophen-2-yl)-N-(4-fluoro-3-trifluoromethyl-benzyl)-ethanesulfonamide as an off-white solid. 1H-NMR (DMSO-d6): δ 1.32 (t, 3H), 2.29 (s, 3H), 3.49 (q, 2H), 5.08 (s, 2H), 7.41-7.52 9m, 3H), 7.70-7.77 (m, 2H), 7.93-8.03 (m, 2H); MS: m/z 460.2 (MH+).

후처리

  1. stirringthe resulting mixture stirred at ambient temperature for 2 h
  2. stirringThe resulting solution was stirred at ambient temperature overnight
  3. extractionthe desired product extracted into ethyl acetate
  4. washThe organic phase was washed with water (3×), brine
  5. dry with materialdried over sodium sulfate
  6. filtrationfiltered
  7. customthe solvent evaporated in vacuo
  8. customto yield a residue
  9. customThe residue was purified by flash column chromatography (SiO2)
  10. washeluting with an ethyl acetate-heptane gradient

출처 및 근거

ORD 기록
ord-7dab926527da4afd88fcb9cd95268c6c
출처 데이터셋
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08216547B2

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