홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

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

HRID 2421479
노트
인쇄 미리보기

반응식

HRID 2421479 반응식
[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
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 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

생성물 1

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

실험 절차

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]+.

후처리

  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)

출처 및 근거

ORD 기록
ord-787d2757a91d487ca7f3d49221a79342
출처 데이터셋
uspto-grants-2011_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07956050B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트