3,7-dimethyl-1-oxo-1H-indene-6-carbaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3,7-dimethyl-1-oxo-1H-indene-6-carbaldehyde
• 英文别名: 1,4-Dimethyl-3-oxoindene-5-carbaldehyde
• 化学式: C₁₂H₁₀O₂
• 分子量: 186.21
• InChiKey: RUCFKXMTCLZJHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-isopropylidene-3,8-dimethyl-1(5H)-azulenone 、 氧气 以54%的产率得到
  参考文献：
  名称：

  MATSUBARA, YOSHIHARU;MATSUI, SHUICHI;TAKEKUMA, SHIN-ICHI;QUO, YAN PIN;YAM+, BULL. CHEM. SOC. JAP., 62,(1989) N, C. 2040-2044

  摘要：

  DOI：

文献信息

• Autoxidation of Solid Guaiazulene and of the Solution in DMF in the Presence of Base or Acid: A Comparative Study of the Product Distribution
  作者：Shin-ichi Takekuma、Yoshiharu Matsubara、Hiroshi Yamamoto、Tetsuo Nozoe

  DOI：10.1246/bcsj.61.475

  日期：1988.2

  Autoxidation of guaiazulene was examined in detail under the following conditions: in a highly diluted DMF solution, in DMF in the presence of acid or base (at 80–100 °C), and as solid state under sunlight or in the dark (at 25–50 °C). In all cases a wide variety of products were obtained (33 separable compounds altogether), and a comparable study on the distribution of the products under the various

  在以下条件下详细检查愈创甘油醚的自氧化：在高度稀释的 DMF 溶液中，在酸或碱存在的 DMF 中（在 80–100 °C），以及在阳光下或在黑暗中（在 25 –50 °C）。在所有情况下都获得了各种各样的产物（总共 33 种可分离的化合物），并且对不同反应条件下产物的分布进行了比较研究，以建立更精确的反应途径，以形成这些有趣的化合物。
• An Efficient Preparation and Reactions of [5,6′-Biguaiazulene]-3,3′(5<i>H</i>,6′<i>H</i>)-dione and 5-Isopropylidene-3,8-dimethyl-1(5<i>H</i>)-azulenone: Key Intermediates for the Autoxidation Products of Guaiazulene
  作者：Yoshiharu Matsubara、Shuichi Matsui、Shin-ichi Takekuma、Yan Pin Quo、Hiroshi Yamamoto、Tetsuo Nozoe

  DOI：10.1246/bcsj.62.2040

  日期：1989.6

  Oxidation of guaiazulene (1) with peracetic acid in hexane at 25 °C afforded as high as an 80% yield of the title biguaiazulenedione (12), which upon heating at 60 °C under nitrogen gave the title 1-azulenone (13) quantitatively. Oxidation of 12 and 13 was studied under various conditions, and these compounds were shown to be highly important key intermediates for a large number of the complex products obtained by autoxidation of 1.

  在己烷中于 25 °C 下用过乙酸氧化愈创蓝油烯 (1)，得到产率高达 80% 的标题双愈创蓝油烯二酮 (12)，在氮气下于 60 °C 加热时定量得到标题 1-薁酮 (13) 。在各种条件下研究了12和13的氧化，这些化合物被证明是1自氧化得到的大量复杂产物的非常重要的关键中间体。
• MATSUBARA, YOSHIHARU;MATSUI, SHUICHI;TAKEKUMA, SHIN-ICHI;QUO, YAN PIN;YAM+, BULL. CHEM. SOC. JAP., 62,(1989) N, C. 2040-2044
  作者：MATSUBARA, YOSHIHARU、MATSUI, SHUICHI、TAKEKUMA, SHIN-ICHI、QUO, YAN PIN、YAM+

  DOI：——

  日期：——