5-carboxytropolone | 56968-86-6

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 5-carboxytropolone
• 英文别名: 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid；4-hydroxy-5-oxo-cyclohepta-1,3,6-trienecarboxylic acid；4-Hydroxy-5-oxo-cyclohepta-1,3,6-triencarbonsaeure
• CAS: 56968-86-6
• 化学式: C₈H₆O₄
• 分子量: 166.133
• InChiKey: SIGZPDBFIPIXRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-carboxytropolone 在 硫酸 作用下， 以 乙醚 为溶剂， 生成 5-acetyltropolone
  参考文献：
  名称：

  Syntheses of α-, β- and γ-Dolabrins

  摘要：

  DOI：

  10.1246/bcsj.33.1452
• 作为产物：
  描述：

  5-氧代-1,3,6-环庚三烯-1-羧酸 在 吡啶 、 sodium hydroxide 、 乙醇 、 盐酸羟胺 作用下， 生成 5-carboxytropolone
  参考文献：
  名称：

  Terrestrial heat flow in Junggar Basin, Northwest China

  摘要：

  Based on temperature logs of 117 boreholes and thermal conductivity of 119 rock samples, the first group of 35 heat flow data in the Junggar Basin are presented. The thermal gradients vary between 11.6 and 26.5 degreesC/km, and the thermal conductivity changes from 0.17 to 3.6 W/mK. Heat flow ranges from 23.4 to 53.7 mW/m(2) with a mean of (42.3+/-7.7) mW/m2. The heat flow pattern shows that heat flow is higher in the uplifts and lower in the depressions. The factors affecting the heat flow and its distribution include basin type, basement structure, sediment thickness, radioactive heat generation, etc. The overall low present-day heat flow in the Junggar Basin reflected its tectonothermal evolution characterized by lithospheric thickening, thrust and fault at shallow crust as well as consequently quick subsidence during the Late Cenozoic.

  DOI：

  10.1007/bf02886273

文献信息

• Vinylic substitution on troponoid catalyzed by palladium complexes, and formation of new C-pd σ-complexes of troponoid
  作者：Hiroshi Horino、Naoto Inoue、Toyonobu Asao

  DOI：10.1016/0040-4039(81)80139-6

  日期：1981.1

  The reaction of 3-, 4- and 5-halotropolones with olefins catalyzed by palladium (O) complex gave 3-, 4- and 5-(substituted vinyl) tropolones respectively. Similarly, 2-chlorotropone gave 2-styryltropones. Some tropolonyl- and troponylpalladium-σ-complexes were synthesized.

  3-，4-和5-卤代托环酮与由钯（O）配合物催化的烯烃的反应分别得到3-，4-和5-（取代的乙烯基）对苯二酚。类似地，2-氯托酮产生2-苯乙烯基托酮。合成了一些tropolonyl-和对苯甲酰基钯-σ-复合物。
• Synthesis of α-Tropolones through Autoxidation of Dioxole-Fused Cycloheptatrienes
  作者：Alex J. Berkowitz、Ryan P. Murelli

  DOI：10.1021/acs.joc.1c02713

  日期：2022.4.1

  Herein, we describe the formation of tropolones through the autoxidation of Büchner reaction-derived cycloheptatrienes. The reaction is exceptionally simple procedurally, as it involves blowing a stream of compressed air over the cycloheptatriene, and the products can be obtained without any need for chromatography. The chemistry works specifically on dioxolane-fused systems or close variants, and

  在此，我们描述了通过布氏反应衍生的环庚三烯的自动氧化形成托酚酮。该反应在程序上非常简单，因为它涉及将压缩空气流吹过环庚三烯，并且无需色谱法即可获得产物。该化学特别适用于二氧戊环稠合系统或紧密变体，取代模式也很重要。提出了基于激进的机械假设来解释这些结果。最后，我们展示了整个过程在合成酰胺附加的托酚酮和 stipitatic 酸异构体中的效用。
• Cook et al., Journal of the Chemical Society, 1952, p. 4416,4419
  作者：Cook et al.

  DOI：——

  日期：——
• Cook et al., Journal of the Chemical Society, 1954, p. 530,533
  作者：Cook et al.

  DOI：——

  日期：——
• Kitahara, Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., 1956, vol. <I> 40, p. 83,86
  作者：Kitahara

  DOI：——

  日期：——

表征谱图