1,1-Dioxo-2-phenyl-6-p-tolyl-1H-1λ⁶-thiopyran-4-one | 135215-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1-Dioxo-2-phenyl-6-p-tolyl-1H-1λ⁶-thiopyran-4-one
• 英文别名: 4H-Thiopyran-4-one, 2-(4-methylphenyl)-6-phenyl-, 1,1-dioxide；2-(4-methylphenyl)-1,1-dioxo-6-phenylthiopyran-4-one
• CAS: 135215-37-1
• 化学式: C₁₈H₁₄O₃S
• 分子量: 310.373
• InChiKey: JPIDDKLLGVAPEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-Dioxo-2-phenyl-6-p-tolyl-1H-1λ⁶-thiopyran-4-one 以53%的产率得到
  参考文献：
  名称：

  El-Ghanam Moneim, Afinidad, 51 (1994) N 453, S 386-390

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-Methylphenyl)-6-phenylthiopyran-4-one 以62%的产率得到
  参考文献：
  名称：

  El-Ghanam Moneim, Afinidad, 51 (1994) N 453, S 386-390

  摘要：

  DOI：

文献信息

• CYCLIC SULFONE ADDITIVES FOR LITHIUM ION BATTERIES
  申请人：NOHMS Technologies, Inc.

  公开号：US20230378534A1

  公开（公告）日：2023-11-23

  Cyclic sulfone organic compounds and an electrolyte containing the cyclic sulfone organic compounds suitable for use in electrochemical energy storage devices useful for reducing battery resistance, increasing cycle life, and improving high-temperature performance are disclosed.

  本发明公开了适合用于电化学储能装置的环砜类有机化合物和含有该环砜类有机化合物的电解液，可用于降低电池电阻、延长循环寿命和改善高温性能。
• Electrophotographic elements containing new electron-transport agents
  申请人：EASTMAN KODAK COMPANY

  公开号：EP0433948A1

  公开（公告）日：1991-06-26

  New electrophotographic elements contain electron-transport agents comprising certain new chemical compounds, which are derivatives of 4H-thiopyran-1,1-dioxides.

  新型电致发光元件含有电子传输剂，其中包含某些新型化合物，它们是 4H-thiopyran-1,1-dioxides 的衍生物。
• Marei, Mohamed Gaber, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 81, # 1-4, p. 101 - 110
  作者：Marei, Mohamed Gaber

  DOI：——

  日期：——
• Electron Transport in 4H-1,1-Dioxo-4-(dicyanomethylidene)thiopyrans. Investigation of x-ray Structures of Neutral Molecules, Electrochemical Reduction to the Anion Radicals, and Absorption Properties and EPR Spectra of the Anion Radicals
  作者：Michael R. Detty、Raymond S. Eachus、John A. Sinicropi、Jerome R. Lenhard、Martin McMillan、Anne Marie Lanzafame、Henry R. Luss、Ralph Young、James E. Eilers

  DOI：10.1021/jo00111a028

  日期：1995.3

  A series of 4H-1,1-dioxo-4-(dicyanomethylidene)thiopyrans 1-15, which are useful as electron-transport materials in xerography, were prepared by condensation of malononitrile with the corresponding 4H-1,1-dioxothiopyran-4-one. X-ray crystal structures of 1-5 were indicative that the thiopyran ring is planar in 1, 2, and 5 and is boat shaped in the tert-butyl-substituted derivatives 3 and 4. The 2-thienyl substituent in 5 is rigorously coplanar with the thiopyran ring in 5. The anion radicals of 1-6, which were prepared by electrochemical or lithium naphthalenide reduction, were examined by EPR and absorption spectroscopy. The experimental spin densities as determined at atomic centers by EPR spectroscopy are consistent with values determined by an ab initio calculation on the anion radical bf 9. The reduction potentials of 1-15 as measured by second-harmonic AC voltammetry: (SHACV) correlated with the sum of Hammett substituent constants at the 2- and 6-positions. Coulometric reduction and reoxidation was indicative of reversible one-electron processes in these systems. Parent compound 2 gave completely irreversible reduction even by SHACV. Electron mobilities of thin films of 3, 4, or 15 molecularly dispersed in a polyester binder were found to increase with increased planarity of the electron-transport material and increased pi-delocalization of the unpaired spin.
• El-Ghanam Moneim, Afinidad, 51 (1994) N 453, S 386-390
  作者：El-Ghanam Moneim

  DOI：——

  日期：——