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Pyridine → 8-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine

HRID 1478673
ノート
印刷プレビュー

反応式

HRID 1478673 の反応式
[Br:1][C:2]1[CH:3]=[CH:4]C2=[C:6]([CH:20]=1)CN(C)CC=C2C1C=CC(F)=CC=1.C(=O)([O-])[O-].[K+].[K+].[N:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>>[Br:1][C:2]1[CH:3]=[CH:4][C:28]2[CH2:29][CH2:30][CH2:31][CH2:32][NH:27][C:6]=2[CH:20]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

4

反応物 3

HCID 1049PyridineHCID 11430Potassium CarbonateHCID 66965181(Z)-8-bromo-5-(4-fluorophenyl)-2-methyl-2,3-dihydro-1H-benzo[c]azepine

生成物 1

HCID 162444748-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine収率 71%

実験手順

To a solution of the dihydrobenzazepine (2.43 g, 7.31 mmol) from step F above in pyridine (50 mL) were added potassium carbonate (8.08 g, 58.5 mmol) and p-toluenesulfonylhydrazide (5.45 g, 29.3 mmol) in batches. The reaction solution was heated under reflux for 48 h and then cooled to room temperature. The resultant reaction mixture was filtered through Celite. The Celite bed was washed with ethyl acetate. The filtrate was concentrated under reduced pressure. The residue dissolved in ethyl acetate was washed with water and brine, dried over sodium sulfate and concentrated under reduced pressure. The residue obtained was purified by flash column chromatography (3 to 5% methanol/dichloromethane) to give the desired 8-bromotetrahydrobenzazepine (1.74 g, 71%): 1H NMR (500 MHz, CDCl3) δ 7.31 (d, J=2.1 Hz, 1H), 7.20-7.16 (m, 1H), 7.13-7.10 (m, 2H), 7.04 (t, J=8.6 Hz, 2H), 6.49 (br, 1H), 4.24 (d, J=9.3 Hz, 1H), 3.88 (d, J=12.2 Hz, 1H), 3.67 (d, J=14.3 Hz, 1H), 3.12-3.09 (m, 1H), 2.98-2.93 (m, 1H), 2.34 (s, 3H), 2.30-2.23 (m, 1H), 2.08-2.04 (m, 1H); ESI MS m/z 334, 336 [M+H]+.

後処理

  1. temperatureThe reaction solution was heated
  2. temperatureunder reflux for 48 h
  3. customThe resultant reaction mixture
  4. filtrationwas filtered through Celite
  5. washThe Celite bed was washed with ethyl acetate
  6. concentrationThe filtrate was concentrated under reduced pressure
  7. dissolutionThe residue dissolved in ethyl acetate
  8. washwas washed with water and brine
  9. dry with materialdried over sodium sulfate
  10. concentrationconcentrated under reduced pressure
  11. customThe residue obtained
  12. customwas purified by flash column chromatography (3 to 5% methanol/dichloromethane)

出典と根拠

ORDレコード
ord-286dda0cbaad47cab7b7e4ef2873b92b
出典データセット
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09403776B2

反応ノート

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