2-(benzyloxy)-5-methyl-3-(morpholin-4-yl)cyclohex-2-en-1-on | 478618-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-(benzyloxy)-5-methyl-3-(morpholin-4-yl)cyclohex-2-en-1-on
• CAS: 478618-96-1
• 化学式: C₁₈H₂₃NO₃
• 分子量: 301.386
• InChiKey: RQZUDBIAEZJBNC-UHFFFAOYSA-N

物化性质

• 沸点：
  473.3±45.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(benzyloxy)-5-methyl-3-(morpholin-4-yl)cyclohex-2-en-1-on 以83%的产率得到2-(Benzyloxy)-3-hydroxy-5-methylcyclohex-2-en-1-on
  参考文献：
  名称：

  Chemie freier cyclischer vicinaler Tricarbonyl-Verbindungen (‘1,2,3-Trione') Teil 2. Redox-Reaktionen von 1,2,3-Trionen mit En-1,2-diolen (‘Reduktonen'), 2-Alkoxy-en-1-olen, En-1,2-diaminen und verwandten Spezies Für Teil 1, s. [1].

  摘要：

  Chemistry of Free Cyclic Vicinal Tricarbonyl Compounds ('1,2,3-Triones'). Part 2. Redox Reactions of 1,2,3-Triones with Ene-1,2-diols ('Reductones'), 2-Alkoxy-en-1-ols, Ene-1,2-diamines, and Related SpeciesMidstanding carbonyl groups of cyclic 1,2,3-triones 4 possess outstanding electrophilic (elcctron-pair accepting) as well as oxidizing (one-electron accepting) properties. Their reactions with selected electron-rich C C bonds as efficient nucleophiles (AN reactions) and as efficient reducing agents (SET (single electron transfer) reactions) are studied. In a few cases, short-lived charge-transfer colors could be observed. Particularly, free didehydro-5,6-0-isopropyliden-L-ascorbic acid (4g), its 0,C-adduct 8g to 5,6-O-isopropylidene-(L)-ascorbic acid (1g), and - via an independent pathway - the ostensible C,C-dimer 10a of mono-dehydrodimedone reductone were prepared. Intermediate radical anions 4- can be considered to be ideal representatives of dicapto-dative radicals. Novel large-scale syntheses of 3,4-dihydroxyfuran-2(5H)-one (1e) and of its vicinal trione 4e are presented.

  DOI：

  10.1002/1522-2675(200205)85:5<1295::aid-hlca1295>3.0.co;2-k
• 作为产物：
  描述：

  Ethyl-[4-methyl-2-(morpholin-4-yl)-6-oxocyclohex-1-en-1-yl]carbonat 生成 2-(benzyloxy)-5-methyl-3-(morpholin-4-yl)cyclohex-2-en-1-on
  参考文献：
  名称：

  Chemie freier cyclischer vicinaler Tricarbonyl-Verbindungen (‘1,2,3-Trione') Teil 2. Redox-Reaktionen von 1,2,3-Trionen mit En-1,2-diolen (‘Reduktonen'), 2-Alkoxy-en-1-olen, En-1,2-diaminen und verwandten Spezies Für Teil 1, s. [1].

  摘要：

  Chemistry of Free Cyclic Vicinal Tricarbonyl Compounds ('1,2,3-Triones'). Part 2. Redox Reactions of 1,2,3-Triones with Ene-1,2-diols ('Reductones'), 2-Alkoxy-en-1-ols, Ene-1,2-diamines, and Related SpeciesMidstanding carbonyl groups of cyclic 1,2,3-triones 4 possess outstanding electrophilic (elcctron-pair accepting) as well as oxidizing (one-electron accepting) properties. Their reactions with selected electron-rich C C bonds as efficient nucleophiles (AN reactions) and as efficient reducing agents (SET (single electron transfer) reactions) are studied. In a few cases, short-lived charge-transfer colors could be observed. Particularly, free didehydro-5,6-0-isopropyliden-L-ascorbic acid (4g), its 0,C-adduct 8g to 5,6-O-isopropylidene-(L)-ascorbic acid (1g), and - via an independent pathway - the ostensible C,C-dimer 10a of mono-dehydrodimedone reductone were prepared. Intermediate radical anions 4- can be considered to be ideal representatives of dicapto-dative radicals. Novel large-scale syntheses of 3,4-dihydroxyfuran-2(5H)-one (1e) and of its vicinal trione 4e are presented.

  DOI：

  10.1002/1522-2675(200205)85:5<1295::aid-hlca1295>3.0.co;2-k