2-[2-(4-甲基苯基)-1,1-二氧并-6-苯基-4H-硫代吡喃-4-基]-丙腈 | 135215-38-2

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[2-(4-甲基苯基)-1,1-二氧并-6-苯基-4H-硫代吡喃-4-基]-丙腈
• 中文别名: 2-[2-(4-甲基苯基)-1,1-二氧代-6-苯基-4H-噻喃-4-亚基]丙二腈
• 英文名称: 4H-1,1-dioxo-4-dicyano-methylidene-2-p-tolyl-6-phenylthiopyran
• 英文别名: 2-[2-(4-Methylphenyl)-1,1-dioxido-6-phenyl-4H-thiopyran-4-ylidene]propanedinitrile；2-[2-(4-methylphenyl)-1,1-dioxo-6-phenylthiopyran-4-ylidene]propanedinitrile
• CAS: 135215-38-2
• 化学式: C₂₁H₁₄N₂O₂S
• 分子量: 358.42
• InChiKey: YDOQCPPVNDSSBM-UHFFFAOYSA-N

物化性质

• 沸点：
  556.4±50.0 °C(Predicted)
• 密度：
  1.332±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  90.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  2-phenyl-6-tolylthian-4-one 在 哌啶 、 过氧乙酸 、 硫酸 、 碘 、 sodium acetate 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 22.0h， 生成 2-[2-(4-甲基苯基)-1,1-二氧并-6-苯基-4H-硫代吡喃-4-基]-丙腈
  参考文献：
  名称：

  CYCLIC SULFONE ADDITIVES FOR LITHIUM ION BATTERIES

  摘要：

  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。

  公开号：

  US20230378534A1

文献信息

• 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。
• 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.
• Electrophotographic elements and soluble cyclic sulfone electron transport agents
  申请人：EASTMAN KODAK COMPANY

  公开号：EP0691579B1

  公开（公告）日：1998-11-04
• NOVEL ELECTROCHROMIC MATERIALS AND DEVICES
  申请人：Eastman Kodak Company

  公开号：EP1740672B1

  公开（公告）日：2010-04-21
• ELECTROPHOTOGRAPHIC PHOTORECEPTOR, METHOD OF MANUFACTURING THE PHOTORECEPTOR, AND ELECTROPHOTOGRAPHIC DEVICE
  申请人：FUJI ELECTRIC CO., LTD.

  公开号：US20210124279A1

  公开（公告）日：2021-04-29

  An electrophotographic photoreceptor includes a conductive substrate and a photosensitive layer formed on the conductive substrate. The photosensitive layer contains a cross-linked structure derived from a first hole transport material represented by the following general formula (1): Za is a polymerizable functional group with structural formula (2), (3), or (4), Zb is a divalent group with structural formula (5), (6), or (7), Ra, Rb, Rc and Rd each are one of a branched or unbranched alkyl group having from 1 to 6 carbon atoms, an alkoxy group having from 1 to 6 carbon atoms, a substituted or unsubstituted phenyl group, or a substituted or unsubstituted styryl group, l is an integer of 0 or 1, m is an integer from 0 to 5, n, o, and p are each integer from 0 to 4, q is an integer from 1 to 3.