9-(4-chloro-phenyl)-xanthen-9-ol | 112305-06-3

• 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: 9-(4-chloro-phenyl)-xanthen-9-ol
• 英文别名: 9-(4-Chlor-phenyl)-xanthen-9-ol；9-(4-Chlorophenyl)xanthen-9-ol
• CAS: 112305-06-3
• 化学式: C₁₉H₁₃ClO₂
• 分子量: 308.764
• InChiKey: ITJHBIAAFDBOTO-UHFFFAOYSA-N

物化性质

• 熔点：
  172-173 °C
• 沸点：
  454.2±45.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.73
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  9-(4-chloro-phenyl)-xanthen-9-ol 在 四(三苯基膦)钯 、 正丁基锂 、 三氟化硼乙醚 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  一种有机电致发光材料及其合成方法

  摘要：

  本发明提供一种有机电致发光材料及其合成方法，属于有机光电材料技术领域。提供的光电材料中含有吡啶的结构，电子载流子传输能力更强，同时结构中引入螺原子，使得材料的玻璃化转化温度更高，同时使得三线态能级更高。同时用正交实验的方法，考察确定了关键步骤的合成参数。本发明提供的化合物可以作为发光层材料或电子传输层材料应用于有机发光器件中，具有更高的发光效率和更低的驱动电压。

  公开号：

  CN112759584A
• 作为产物：
  描述：

  占吨酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 9-(4-chloro-phenyl)-xanthen-9-ol
  参考文献：
  名称：

  Gomberg; Cone, Justus Liebigs Annalen der Chemie, 1909, vol. 370, p. 183

  摘要：

  DOI：

文献信息

• Triarylmethanes and 9-arylxanthenes as prototypes amphihydric compounds for relating the stabilities of cations, anions and radicals by C-H bond cleavage and electron transfer
  作者：Edward M. Arnett、Robert A. Flowers、Richard T. Ludwig、Alison E. Meekhof、Stuart A. Walek

  DOI：10.1002/(sici)1099-1395(199707)10:7<499::aid-poc896>3.0.co;2-2

  日期：1997.7

  Thermodynamic stability properties of II p-substituted trityl and seven 9-phenylxanthyl carbocations are reported in sulfolane and of their conjugate carbanions in DMSO. The cations are compared by calorimetric heats of hydride transfer from cyanoborohydride ion, their first and second reduction potentials, their PK(R)(+)s in aqueous sulfuric acid, C-13 chemical shifts and free energies of methoxy exchange. Carbanlons are compared by their heats and free energies (pK(HA)) of deprotonation and their first and second oxidation potentials. Radicals are compared by their oxidation and reduction potentials. Their bond dissociation energies are derived by alternative routes: from the carbocation and its reduction potential and from the carbanion and its oxidation potential. The various properties are correlated against each other and against appropriate Hammett-type substituent parameters. Correlations between the different measured properties reported here range from fair to excellent, Despite their importance as historic prototypes for the three trivalent oxidation states of carbon, trityl and xanthyl systems are atypical models for comparing transmission of electron demand In other series of carbocations, radicals or carbanions with significantly different structures. The 9-arylxanthyl series is especially poor because of its insensitivity to substituent effects. The effects of substituents on various properties which represent the stabilities of R(+)s correlate surprisingly well against those for corresponding R(-)s. Accordingly, compensating effects on the oxidation and reduction of a series of related RS may lead to a nearly constant electron transfer energy and absolute hardness for the series. In contrast, the free energies for interconversion of the carbocations and carbanions which determine the gap between pK(R+) and pK(HA) are very sensitive to structural change. (C) 1997 by John Wiley & Sons, Ltd.
• Electrophilic reactions of xanthylium carbocations produced by flash photolysis of 9-xanthenols
  作者：Robert A. McClelland、Narinder Banait、Steen Steenken

  DOI：10.1021/ja00190a030

  日期：1989.4
• 118. Comparison of the directive powers of elements having consecutive atomic numbers. Part V. The nitration of 9-phenylxanthylium perchlorate
  作者：R. J. W. Le Fèvre、J. Pearson

  DOI：10.1039/jr9330000482

  日期：——
• KOORTS J.;TALJAARD B.;GOOSEN A., S. AFR. J. CHEM., 1987, 40, N 4, 237-242
  作者：KOORTS J.、TALJAARD B.、GOOSEN A.

  DOI：——

  日期：——
• TALJAARD B.; GOOSEN A.; MCCLELAND C. W., S. AFR. J. CHEM., 40,(1987) N 2, 139-145
  作者：TALJAARD B.、 GOOSEN A.、 MCCLELAND C. W.

  DOI：——

  日期：——