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

HRID 1630696
ノート
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反応式

HRID 1630696 の反応式
[Br:1][C:2]1[CH:3]=[CH:4]C2=[C:6]([CH:24]=1)CN(C)CC=C2C1C=CC2N(C)CCOC=2C=1.C(=O)([O-])[O-].[K+].[K+].[N:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>>[Br:1][C:2]1[CH:3]=[CH:4][C:32]2[CH2:33][CH2:34][CH2:35][CH2:36][NH:31][C:6]=2[CH:24]=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 66965157(Z)-7-(8-bromo-2-methyl-2,3-dihydro-1H-benzo[c]azepin-5-yl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine

生成物 1

HCID 162444748-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine収率 65%

実験手順

To a solution of the dihydrobenzazepine (270 mg, 0.70 mmol) from step F above in pyridine (15 mL) were added potassium carbonate (967 mg, 7.0 mmol) and p-toluenesulfonylhydrazide (672 mg, 3.5 mmol) in batches. The reaction solution was heated under reflux for 24 hours 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% methanol/dichloromethane) to give the desired 8-bromotetrahydrobenzazepine (176 mg, 65%): 1H NMR (500 MHz, CDCl3) δ 7.28 (d, J=2.1 Hz, 1H), 7.19 (dd, J=8.2, 1.7 Hz, 1H), 6.64 (d, J=8.2 Hz, 2H), 6.60-6.56 (m, 2H), 4.31 (t, J=4.4 Hz, 2H), 4.12 (d, J=9.9 Hz, 1H), 3.83 (br, 1H), 3.69 (d, J=14.2 Hz, 1H), 3.26 (t, J=4.4 Hz, 2H), 3.13-3.10 (m, 1H), 2.95-2.90 (m, 1H), 2.89 (s, 3H), 2.32 (s, 3H), 2.24-2.17 (m, 1H), 2.06-2.04 (m, 1H); ESI MS m/z 387, 389 [M+H]+.

後処理

  1. temperatureThe reaction solution was heated
  2. temperatureunder reflux for 24 hours
  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% methanol/dichloromethane)

出典と根拠

ORDレコード
ord-22a36067e5884d0daca092faeed52d5d
出典データセット
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08791101B2

反応ノート

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