3,9,9-trimethylxanthene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,9,9-trimethylxanthene
• 化学式: C₁₆H₁₆O
• 分子量: 224.302
• InChiKey: WBAOWYHWISUSCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  双酚A 、 间甲酚 在 甲烷磺酸 作用下， 反应 24.0h， 生成 3,9,9-trimethylxanthene 、 3,6,9,9-tetramethylxanthene
  参考文献：
  名称：

  A New Reaction of Bisphenol A and Preparation of Polysubstituted 9,9-Dimethylxanthenes

  摘要：

  A new transformation of bisphenol A (1) to polymethylated 9,9-dimethylxanthenes 2-5 in the presence of an exogenous phenol is described. The reaction proceeds with concurrent liberation of phenol, is catalyzed by strong acid, and takes place at synthetically useful rates at temperatures above 100 degrees C. Materials chemically related to bisphenol A polycarbonate 10, chroman fl, and tars generated during the manufacture of 1, behave similarly. The product xanthenes are useful as precursors to novel xanthene polyesters such as 33 having high glass transition temperatures relative to analogous materials based on 12 or 13. Catalytic oxidation of xanthenes 2-4 affords highly insoluble diacids that are esterified to the esters 6-8. A mechanistic framework accounting for the appearance of chroman 23 and spiroketal 24 as intermediates is given. Overall, the reaction has the characteristics of a complex series of equilibria in which xanthenes such as 2 are strongly favored.

  DOI：

  10.1021/jo961766d

文献信息

• PHENANTHRENE COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES
  申请人：Merck Patent GmbH

  公开号：US20150155491A1

  公开（公告）日：2015-06-04

  The invention relates to specific phenanthrenes, the use of the compound in an electronic device, and an electronic device containing at least one of said compounds. The invention further relates to a method for producing the compound and a formulation and composition containing one or more of the compounds.

  本发明涉及特定的菲蒽类化合物，以及该化合物在电子设备中的应用和含有该化合物中至少一种的电子设备。本发明还涉及一种制备该化合物的方法，以及含有一种或多种该化合物的配方和组合物。
• Phenanthrene compounds for organic electronic devices
  申请人：Merck Patent GmbH

  公开号：US10446759B2

  公开（公告）日：2019-10-15

  The invention relates to specific phenanthrenes, the use of the compound in an electronic device, and an electronic device containing at least one of said compounds. The invention further relates to a method for producing the compound and a formulation and composition containing one or more of the compounds.

  本发明涉及特定菲、化合物在电子设备中的用途以及含有至少一种上述化合物的电子设备。本发明还涉及化合物的生产方法和含有一种或多种化合物的配方和组合物。
• PHENANTHRENVERBINDUNGEN FÜR ORGANISCHE ELEKTRONISCHE VORRICHTUNGEN
  申请人：Merck Patent GmbH

  公开号：EP2858980B1

  公开（公告）日：2019-06-26
• US5430199A
  申请人：——

  公开号：US5430199A

  公开（公告）日：1995-07-04
• US8669234B2
  申请人：——

  公开号：US8669234B2

  公开（公告）日：2014-03-11