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

Acetic Acid → 3-(Methylsulfanyl)cyclohexanone

HRID 423958
노트
인쇄 미리보기

반응식

HRID 423958 반응식
[C:1]1(=[O:7])[CH2:6][CH2:5][CH2:4][CH:3]=[CH:2]1.C(O)(=O)C.[CH3:12][S-:13].[Na+]>C1(C)C=CC=CC=1>[CH3:12][S:13][CH:3]1[CH2:4][CH2:5][CH2:6][C:1](=[O:7])[CH2:2]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 176Acetic AcidHCID 135942-Cyclohexen-1-oneHCID 4378561Sodium methanethiolate

생성물 1

HCID 2875743-(Methylsulfanyl)cyclohexanone수율 86.2%

시약·촉매·용매 1

HCID 1140Toluene용매

실험 절차

Cyclohex-2-enone (3.80 g, 95% Aldrich, 39.5 mmol uncorrected), toluene (15.31 g, HPLC grade) and glacial acetic acid (2.85 g, 47.4 mmoles, 1.20 eq, 99.7+% Aldrich) were combined in a 50 mL 3-necked round bottom flask equipped with a magnetic stirrer, reflux condenser with nitrogen oil bubbler vented to a bleach scrubber, thermometer with Therm-o-watch controller and septum. To the stirred solution was added 15 wt % sodium thiomethoxide (19.4 g of solution, 2.91 g, 41.5 mmol, 1.05 eq of NaSCH3) in portions via syringe during 19 min. The reaction temperature increased from 28.0° C. to 36.4° C. during the addition. The two-phase mixture was stirred at ambient temperature overnight. The reaction mixture was heated to about 50° C. and stirred for 7.5 h. The mixture was then allowed to cool to room temperature with stirring overnight. The phases were allowed to settle for 30 min. The lower aqueous phase was removed. The upper organic phase was washed with water (2×10 mL), dried through a cone of anhydrous magnesium sulfate and concentrated on the rotary evaporator (29 in. Hg vacuum/48° C.) to afford 4.91 g of 3-(methylthio)cyclohexanone as a clear pale yellow oil. Area % conversion by GC 95%. Raw area % 91.1%. Mass recovery 86%.

후처리

  1. customequipped with a magnetic stirrer
  2. temperaturereflux condenser with nitrogen oil bubbler
  3. temperatureThe reaction temperature increased from 28.0° C. to 36.4° C. during the addition
  4. temperatureThe reaction mixture was heated to about 50° C.
  5. stirringstirred for 7.5 h
  6. temperatureto cool to room temperature
  7. stirringwith stirring overnight
  8. waitto settle for 30 min
  9. customThe lower aqueous phase was removed
  10. washThe upper organic phase was washed with water (2×10 mL)
  11. dry with materialdried through a cone of anhydrous magnesium sulfate
  12. concentrationconcentrated on the rotary evaporator (29 in. Hg vacuum/48° C.)

출처 및 근거

ORD 기록
ord-9cfd20a3bf37487ab89834528fccc68c
출처 데이터셋
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08101803B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트