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Potassium Hydroxide → 5,5-Dimethyl-1,4-dioxane-2-carboxylic acid

HRID 2176317
ノート
印刷プレビュー

反応式

HRID 2176317 の反応式
[CH3:1][C:2]1([CH3:10])[CH2:7][O:6][CH:5]([CH2:8][OH:9])[CH2:4][O:3]1.[OH-].[K+].[Mn]([O-])(=O)(=O)=[O:14].[K+]>O>[CH3:1][C:2]1([CH3:10])[CH2:7][O:6][CH:5]([C:8]([OH:14])=[O:9])[CH2:4][O:3]1
参加物反応条件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 14797Potassium HydroxideHCID 516875Potassium PermanganateHCID 66936837(5,5-Dimethyl-1,4-dioxan-2-yl)methanol

生成物 1

HCID 867061655,5-Dimethyl-1,4-dioxane-2-carboxylic acid収率 100%

試薬・触媒・溶媒 1

HCID 962Water溶媒

反応条件

温度
5 °C

実験手順

A solution of (5,5-dimethyl-[1,4]dioxan-2-yl)-methanol (657 mg, 4.5 mmol) in 1 M potassium hydroxide solution (6.7 mL, 6.7 mmol) was stirred at 5° C. A solution of potassium permanganate (1.42 g, 9 mmol) in water (10 mL) was added dropwise maintaining the internal temperature below 10° C. The reaction mixture was stirred at 5° C. for 1 h and then at room temperature for 18 h. The reaction mixture was filtered through Celite and the filter pad was washed with water and methanol and the filtrate was evaporated. The residue was acidified to pH 2 with hydrochloric acid (2 M) and the mixture was extracted with ethyl acetate and chloroform. The organic extracts were combined and washed with a small volume of brine. The organic solution was filtered through a hydrophobic frit and the filtrate was evaporated to afford crude 5,5-dimethyl-[1,4]dioxane-2-carboxylic acid (694 mg, 4.5 mmol) as a waxy solid. LCMS (m/z) 159.1 [M−H], Tr=0.88 min. A solution of 5,5-dimethyl-[1,4]dioxane-2-carboxylic acid (750 mg, 4.7 mmol), oxalyl chloride (600 mg, 0.4 mL, 4.7 mmol) and N,N-dimethylformamide (2 drops) in dichloromethane (15 mL) was stirred at room temperature under nitrogen for 2 h. A solution of benzyl alcohol (508 mg, 0.5 mL, 4.7 mmol) in dichloromethane (2 mL) was added and the reaction mixture was stirred at room temperature for 20 h. Additional benzyl alcohol (0.5 mL, 4.7 mmol) was added and the reaction mixture was stirred at room temperature for 18 h. The solvent was evaporated and the residue was purified by silica gel chromatography using a gradient of iso-hexanes/ethyl acetate 9:1 to 1:1 to afford the title compound (870 mg, 74%) as an oil. 1H NMR (300 MHz, CDCl3) δ 1.19 (s, 3H), 1.32 (s, 3H), 3.43 (d, J=11.4 Hz, 1H), 3.72 (d, J=11.4 Hz, 1H), 3.88-3.92 (m, 2H), 4.21 (dd, J=8.2, 4.7 Hz, 1H), 5.24 (s, 2H), 7.34-7.39 (m, 5H). LCMS (m/z) 273.1 [M+Na], Tr=2.41 min.

後処理

  1. temperaturemaintaining the internal temperature below 10° C
  2. waitat room temperature for 18 h
  3. filtrationThe reaction mixture was filtered through Celite
  4. washthe filter pad was washed with water and methanol
  5. customthe filtrate was evaporated
  6. extractionthe mixture was extracted with ethyl acetate and chloroform
  7. washwashed with a small volume of brine
  8. filtrationThe organic solution was filtered through a hydrophobic frit
  9. customthe filtrate was evaporated

出典と根拠

ORDレコード
ord-fa31155d816441269d7fb20942e4a5fd
出典データセット
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09062092B2

反応ノート

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