3,4,6,7-tetrahydro-9-(4-(2,3,4,5,6,7,8,9-octahydro-3,3,6,6-tetramethyl-1,8-dioxo-1H-xanthen-9-yl)phenyl)-3,3,6,6-tetramethyl-2H-xanthene-1,8(5H,9H)-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4,6,7-tetrahydro-9-(4-(2,3,4,5,6,7,8,9-octahydro-3,3,6,6-tetramethyl-1,8-dioxo-1H-xanthen-9-yl)phenyl)-3,3,6,6-tetramethyl-2H-xanthene-1,8(5H,9H)-dione
• 英文别名: 1,2,3,4,5,6,7,8-octahydro-9-(4-(1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-1,8-dioxoxanthen-9-yl)phenyl)-3,3,6,6-tetramethylxanthene-1,8-dione；1,4‐bis(3,3,6,6‐tetramethyl‐1,8‐dioxo‐2,3,4,5,6,7‐hexahydroxanthene‐9‐yl)benzene；9,9'-(1,4-phenylene)bis(3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2H-xanthene-1,8-(5H,9H)-dione)；9,9'-benzene-1,4-diylbis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione)；9,9'-(1,4-phenylene)bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione)；1,4-bis(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7-hexahydroxanthene-9-yl)benzene；3,3,6,6-tetramethyl-9-[4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
• 化学式: C₄₀H₄₆O₆
• 分子量: 622.802
• InChiKey: NTIMWNNSRNEIQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  46
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-(1,4-phenylene-bis((2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)methylene))-bis(3-hydroxy-5,5-dimethylcyclohex-2-enone) 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 3,4,6,7-tetrahydro-9-(4-(2,3,4,5,6,7,8,9-octahydro-3,3,6,6-tetramethyl-1,8-dioxo-1H-xanthen-9-yl)phenyl)-3,3,6,6-tetramethyl-2H-xanthene-1,8(5H,9H)-dione
  参考文献：
  名称：

  NMR spectral studies of dimedone-aldehyde adducts Part 2. 1H and 13C NMR studies of the adducts

  摘要：

  A detailed study of the 270 MHz H-1 and 67 MHz C-13 NMR spectra of four series of dimedone adducts and ''anhydrides'' is presented. A valuable (5)J(HH) homoallylic coupling has been identified which has facilitated signal locations utilising 2D HETCOR and COLOC experiments. Some earlier spectral assignments are revised.

  DOI：

  10.1016/0584-8539(96)01696-0

文献信息

• Molybdate sulfonic acid: preparation, characterization, and application as an effective and reusable catalyst for octahydroxanthene-1,8-dione synthesis
  作者：Bahador Karami、Zahra Zare、Khalil Eskandari

  DOI：10.2478/s11696-012-0263-y

  日期：2013.1.1

  Molybdate sulfonic acid (MSA) as a highly efficient catalyst was synthesized and employed for the synthesis of octahydroxanthene-1,8-dione derivatives. MSA efficiently catalyzed condensation of a wide range of aryl aldehydes and cyclohexane-1,3-diones to obtain octahydroxanthene-1,8-diones. It was characterized by X-ray fluorescence (XRF), X-ray diffraction (XRD), and FT-IR spectroscopy. This catalyst

  合成了作为高效催化剂的钼酸磺酸（MSA），并用于合成八氢氧杂蒽-1,8-二酮衍生物。MSA有效地催化了各种芳基醛与环己烷-1,3-二酮的缩合反应，从而得到八氢氧杂蒽-1,8-二酮。它的特征在于X射线荧光（XRF），X射线衍射（XRD）和FT-IR光谱。该催化剂可以回收并在其他反应中重复使用几次，以保持其高活性。这种新颖且绿色的方法非常便宜，并具有许多优点，例如产率高，使用可回收且环保的催化剂以及后处理程序简单。
• Clean Synthesis of Compounds Containing Two 4<i>H</i>‐Pyrans or Two Tetraketones in Aqueous Media
  作者：Tong‐Shou Jin、Li‐Bin Liu、Ying Zhao、Tong‐Shuang Li

  DOI：10.1080/00397910500187779

  日期：2005.9.1

  Abstract A general and practical chemistry route to the synthesis of compounds containing two 4H‐pyrans or two tetraketones in aqueous media is described. This method provides several advantages such as neutral conditions, high yields, and simple workup procedure. In addition, water was chosen as a green solvent.

  摘要描述了在水性介质中合成含有两个 4H-吡喃或两个四酮的化合物的通用和实用的化学途径。这种方法提供了几个优点，例如中性条件、高产率和简单的后处理程序。此外，选择水作为绿色溶剂。
• A novel polymeric catalyst for the one-pot synthesis of xanthene derivatives under solvent-free conditions
  作者：Behrooz Maleki、Shahram Barzegar、Zeinalabedin Sepehr、Mina Kermanian、Reza Tayebee

  DOI：10.1007/s13738-012-0092-5

  日期：2012.10

  simple, efficient, and environmentally benign route was developed for the preparation of 14-aryl or alkyl-14H-dibenzo[a,j]xanthene, 1,8-dioxo-octahydroxanthene and 12-aryl—8,9,10,12-tetrahydrobenzo[a]xanthene-11-ones from condensation of various aldehydes with (i) β-naphthol, (ii) cyclic 1,3-dicarbonyl compounds and (iii) β-naphthol and cyclic 1,3-dicarbonyl compounds, using novel polymeric catalyst [poly(AMPS-co-AA)]

  开发了一种简单，有效且环境友好的方法，用于制备14-芳基或烷基14 H-二苯并[a，j]氧杂蒽，1,8-二氧代-八氢氧杂蒽和12-芳基-8,9,10，各种醛与（i）β-萘酚，（ii）环状1,3-二羰基化合物和（iii）β-萘酚和环状1,3-二羰基化合物缩合而成的12-四氢苯并[a]黄嘌呤-11-酮，在无溶剂条件下使用新型聚合物催化剂[聚（AMPS-co-AA）]。使用容易获得的催化剂，更短的反应时间，更好的产率，反应的简单性，非均相系统和容易的后处理是本方法的优点。
• A Self-Assembled Trigonal Prismatic Molecular Vessel for Catalytic Dehydration Reactions in Water
  作者：Paramita Das、Atul Kumar、Prodip Howlader、Partha Sarathi Mukherjee

  DOI：10.1002/chem.201702263

  日期：2017.9.12

  A water‐soluble Pd6 trigonal prism (A) was synthesized by two‐component coordination‐driven self‐assembly of a PdII 90° acceptor with a tetraimidazole donor. The walls of the prism are constructed by three conjugated aromatic building blocks, which means that the confined pocket of the prism is hydrophobic. In addition to the hydrophobic cavity, large product egress windows make A an ideal molecular

  通过Pd II 90°受体与四咪唑供体的两组分配位驱动自组装合成了水溶性Pd 6三角棱镜（A）。棱镜的壁由三个共轭芳族结构块构成，这意味着棱镜的受限腔是疏水的。除了疏水腔外，大的产品出口窗口还使A一个理想的分子容器，可以在水性介质中的有限纳米空间中催化其他挑战性的假多组分脱水反应。这项研究是通过使用超分子分子容器微调反应条件来选择性生成中间四酮和黄嘌呤的尝试。而且，在相似的反应条件下，在不存在A的情况下，脱水产物的收率差或无收率，都支持了桶的密闭空间在水中促进这种反应的能力。此外，我们专注于锚定在Pd II配位结构中的基于四苯基乙烯的四咪唑单元的刚性化；在有水的情况下使依赖于阴离子的聚集诱导的发射成为可能。
• Immobilization of Lewis acidic ionic liquid on perlite nanoparticle surfaces as a highly efficient solid acid catalyst for the solvent-free synthesis of xanthene derivatives
  作者：L. Moradi、M. Mirzaei

  DOI：10.1039/c9ra03312b

  日期：——

  modified with Lewis acidic ionic liquid (perlite NP@IL/ZrCl4) through a two step procedure. The prepared solid acid catalyst was characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX) and thermo gravimetric analysis (TGA). Perlite NP@IL/ZrCl4 was used as a new solid acid, reusable and green

  在这项研究中，珍珠岩纳米粒子通过简单的方法制备，然后通过两步过程用路易斯酸性离子液体（珍珠岩 NP@IL/ZrCl 4 ）进行改性。采用傅里叶变换红外光谱(FTIR)、扫描电子显微镜(SEM)、X射线衍射(XRD)、能量色散X射线光谱(EDX)和热重分析(TGA)对制备的固体酸催化剂进行了表征。珍珠岩 NP@IL/ZrCl 4被用作一种新的固体酸、可重复使用的绿色非均相纳米催化剂，用于一锅法合成呫吨衍生物。使用催化量（0.005 g，0.4 mol%）制备的催化剂在无溶剂条件下合成呫吨，后处理简单，产物收率高至优异。该催化剂的可重复使用性和高效率使该方法对大规模环保操作具有吸引力。