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

Trimethylsilyl iodide → (4S,10aS)-4-aminohexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one

HRID 529499
노트
인쇄 미리보기

반응식

HRID 529499 반응식
[O:1]=[C:2]1[C@@H:8]([NH:9]C(=O)OCC2C=CC=CC=2)[CH2:7][CH2:6][S:5][C@H:4]2[CH2:20][CH2:21][CH2:22][CH2:23][N:3]12.I[Si](C)(C)C>C(Cl)Cl>[NH2:9][C@H:8]1[CH2:7][CH2:6][S:5][C@H:4]2[CH2:20][CH2:21][CH2:22][CH2:23][N:3]2[C:2]1=[O:1]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 85247Trimethylsilyl iodide2회HCID 86706212benzyl (4S,10aS)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylcarbamate

생성물 1

HCID 86706213(4S,10aS)-4-aminohexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one수율 82.5%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of benzyl (4S,10aS)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylcarbamate (103 mg, 0.308 mmol) in DCM (2 mL) stirred at rt was added iodotrimethylsilane (0.054 mL, 0.40 mmol) dropwise. After addition, the resulting yellowish solution was stirred at rt under argon for 1 hr. Additional TMSI (0.054 mL, 0.40 mmol) was added. The yellowish reaction mixture stirred for an additional 1 hr. The reaction was quenched by addition of a drop of 1 N aqueous HCl and then diluted with EtOAc. The organic layer extracted with aqueous 1 N HCl (2×2.5 mL). The combined HCl extracts were washed with EtOAc and basified with 1 N aqueous NaOH solution to pH 9-10. The aqueous solution was extracted with DCM (3×10 mL). The combined DCM extracts were washed with saturated aqueous NaCl, dried over Na2SO4, filtered and concentrated to give (4S,10aS)-4-aminohexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one (50.8 mg, 0.254 mmol, 82% yield) as a colorless oil. Anal. Calcd. for C9H16N2OS m/z 200.3. found: 201.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 5.33 (t, J=3.8 Hz, 1H), 4.37-4.24 (m, 1H), 4.07 (dd, J=10.0, 4.5 Hz, 1H), 3.06-2.87 (m, 2H), 2.63 (ddd, J=14.5, 7.5, 3.2 Hz, 1H), 2.27-2.15 (m, 1H), 2.03-1.92 (m, 2H), 1.92-1.77 (m, 3H), 1.76-1.41 (m, 4H).

후처리

  1. additionAfter addition
  2. customThe yellowish reaction mixture
  3. stirringstirred for an additional 1 hr
  4. customThe reaction was quenched by addition of a drop of 1 N aqueous HCl
  5. additiondiluted with EtOAc
  6. extractionThe organic layer extracted with aqueous 1 N HCl (2×2.5 mL)
  7. washThe combined HCl extracts were washed with EtOAc
  8. extractionThe aqueous solution was extracted with DCM (3×10 mL)
  9. washThe combined DCM extracts were washed with saturated aqueous NaCl
  10. dry with materialdried over Na2SO4
  11. filtrationfiltered
  12. concentrationconcentrated

출처 및 근거

ORD 기록
ord-ff7ab49eb03e4da6aafb60d23f6b47e0
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09346852B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트