4,4,4',4',7,7'-hexamethyl-2,2'-spirobichroman | 7556-50-5

• 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: 4,4,4',4',7,7'-hexamethyl-2,2'-spirobichroman
• 英文别名: 4,4,7,4',4',7'-Hexamethyl-2,2'-spirobichroman；4,4,7,4',4',7'-hexamethyl-3,4,3',4'-tetrahydro-[2,2']spirobichromene；4,4,7,4',4',7'-Hexamethyl-3,4,3',4'-tetrahydro-[2,2']spirobichromen；4,4,4',4',7,7'-hexamethyl-2,2'-spirobi[3H-chromene]
• CAS: 7556-50-5
• 化学式: C₂₃H₂₈O₂
• 分子量: 336.474
• InChiKey: GJSYNWUJAQWBTL-UHFFFAOYSA-N

物化性质

• 熔点：
  132 °C
• 沸点：
  462.4±45.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4,4',4',7,7'-hexamethyl-2,2'-spirobichroman 在 甲烷磺酸 、 间甲酚 作用下， 反应 22.0h， 生成 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
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢碘酸 作用下， 生成 4,4,4',4',7,7'-hexamethyl-2,2'-spirobichroman
  参考文献：
  名称：

  Baker; Besly, Journal of the Chemical Society, 1939, p. 197

  摘要：

  DOI：

文献信息

• 4,4,4′,4′,7,7′-Hexamethyl-2,2′-spirobichroman
  作者：Krzysztof Ejsmont、Janusz Kyzioł、Ewa Nowakowska、Jacek Zaleski

  DOI：10.1107/s0108270199013190

  日期：2000.1.15

  The title compound, C23H28O2, was obtained from the reaction of acetone with meta-cresol. The molecular structure consists of two identical subunits which are nearly perpendicular to each other. The oxygen-containing rings are not planar and the molecule is chiral. The crystal structure consists of chains of molecules of the same chirality arranged along the [010] axis.
• Niederl, Journal of the American Chemical Society, 1928, vol. 50, p. 2232
  作者：Niederl

  DOI：——

  日期：——
• Zukerwanik; Nasarowa, Zhurnal Obshchei Khimii, 1939, vol. 9, p. 33,34
  作者：Zukerwanik、Nasarowa

  DOI：——

  日期：——
• TW2017/31851
  申请人：——

  公开号：——

  公开（公告）日：——
• Method for making polyalkylated xanthenes
  申请人：GENERAL ELECTRIC COMPANY

  公开号：EP0738723B1

  公开（公告）日：2002-03-13