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

Acetone → HCID 178434042, 화합물

HRID 1022713
노트
인쇄 미리보기

반응식

HRID 1022713 반응식
[CH3:1]I.[NH2:3][C:4](=S)[CH2:5][C@H:6]1[C@H:12]([C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[C:15]([Cl:20])[CH:14]=2)[O:11][CH2:10][CH2:9][N:8](C(OC(C)(C)C)=O)[CH2:7]1.[C:29](=[O:32])([O-])[O-:30].[K+].[K+].[C:35]([NH:38][NH2:39])(=O)[CH3:36].C(=O)([O-])O.[Na+].[CH3:45][C:46]([CH3:48])=O>>[Cl:20][C:15]1[CH:14]=[C:13]([C@@H:12]2[O:11][CH2:10][CH2:9][N:8]([C:29]([O:30][C:46]([CH3:48])([CH3:1])[CH3:45])=[O:32])[CH2:7][C@H:6]2[CH2:5][C:4]2[NH:3][C:35]([CH3:36])=[N:38][N:39]=2)[CH:18]=[CH:17][C:16]=1[Cl:19]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 180AcetoneHCID 6328Methyl iodideHCID 11430Potassium CarbonateHCID 14039AcetohydrazideHCID 516892Sodium BicarbonateHCID 86663871tert-butyl (6R,7R)-6-(2-amino-2-thioxoethyl)-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate

생성물 1

HCID 178434042
HCID 178434042, 화합물
수율 79%

실험 절차

Methyl iodide (0.214 mL, 3.43 mmol) was added to a suspension of tert-butyl (6R,7R)-6-(2-amino-2-thioxoethyl)-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate (288 mg, 0.69 mmol) and potassium carbonate (142 mg, 1.03 mmol) in acetone (5 mL) at room temperature. The reaction mixture was stirred at room temperature for 4 hr, and concentrated under reduced pressure. To the residue was added aqueous sodium hydrogen carbonate solution, and the mixture was extracted with ethyl acetate. The extract was washed with brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure. The residue was dissolved in toluene (5 ml), acetohydrazide (61.1 mg, 0.82 mmol) was added, and the mixture was stirred at 120° C. overnight while using a Dean-Stark trap. To the reaction mixture was added aqueous sodium hydrogen carbonate solution, and the mixture was extracted with ethyl acetate. The extract was washed with brine, and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography to give the title compound (241 mg, 0.545 mmol, 79%).

후처리

  1. concentrationconcentrated under reduced pressure
  2. additionTo the residue was added aqueous sodium hydrogen carbonate solution
  3. extractionthe mixture was extracted with ethyl acetate
  4. washThe extract was washed with brine
  5. dry with materialdried over anhydrous sodium sulfate
  6. customThe solvent was evaporated under reduced pressure
  7. dissolutionThe residue was dissolved in toluene (5 ml)
  8. stirringthe mixture was stirred at 120° C. overnight
  9. extractionthe mixture was extracted with ethyl acetate
  10. washThe extract was washed with brine
  11. dry with materialdried over anhydrous sodium sulfate
  12. customThe solvent was evaporated under reduced pressure
  13. customThe residue was purified by silica gel column chromatography

출처 및 근거

ORD 기록
ord-0dc2c02fac124c96bbb19acd3b653633
출처 데이터셋
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08722662B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트