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Acetic Acid → 3-(Methylsulfanyl)cyclohexanone

HRID 423958
ノート
印刷プレビュー

反応式

HRID 423958 の反応式
[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
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

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

生成物 1

HCID 2875743-(Methylsulfanyl)cyclohexanone収率 86.2%

試薬・触媒・溶媒 1

HCID 1140Toluene溶媒

実験手順

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%.

後処理

  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.)

出典と根拠

ORDレコード
ord-9cfd20a3bf37487ab89834528fccc68c
出典データセット
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08101803B2

反応ノート

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