5-(Tetrahydro-selenopyran-4-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one | 479550-17-9

• 英文名称: 5-(Tetrahydro-selenopyran-4-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one
• CAS: 479550-17-9
• 化学式: C₉H₈OS₄Se
• 分子量: 339.386
• InChiKey: XVLMEFCTTHMRRA-UHFFFAOYSA-N

物化性质

• 沸点：
  502.0±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  15.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-(Tetrahydro-selenopyran-4-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one 在 2,3-二氯-5,6-二氰基-1,4-苯醌 、 亚磷酸三乙酯 作用下， 以 xylene 为溶剂， 生成 5-[4,5-Bis(methylselanyl)-1,3-dithiol-2-ylidene]-2-selenopyran-4-ylidene-[1,3]dithiolo[4,5-d][1,3]dithiole
  参考文献：
  名称：

  New TTP Donors Containing Chalcogenopyran-4-ylidene: Preparation, Structures, and Electrical Properties

  摘要：

  Several TM-PDT analogous donors, where TM-PDT is 2-[4,5-bis(thiomethyl)-1,3-dithiol-2-ylidene]-5-(pyran-4-ylidene)-1,3,4,6-tetrathiapentalene, have been prepared. Cyclic voltammetry demonstrated that chalcogen atom exchange at chalcogenopyran moiety in donors strongly influenced their redox potentials. Electrical conductivity of all their salts showed a semiconducting behavior with relatively small activation energy. Crystal structure of (SM-PDT)(TCNQ), where TM-PDT is 2-[4,5-bis(selenomethyl)-1,3-dithiol-2-ylidene]-5-(pyran-4-ylidene)-1,3,4,6-tetrathiapentalene, has been revealed to compose of the D-A type mixed stacks.

  DOI：

  10.1080/10587250210766
• 作为产物：
  描述：

  5-(Tetrahydro-selenopyran-4-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-2-thione 在 mercury(II) diacetate 作用下， 以 氯仿 、 溶剂黄146 为溶剂， 生成 5-(Tetrahydro-selenopyran-4-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one
  参考文献：
  名称：

  New TTP Donors Containing Chalcogenopyran-4-ylidene: Preparation, Structures, and Electrical Properties

  摘要：

  Several TM-PDT analogous donors, where TM-PDT is 2-[4,5-bis(thiomethyl)-1,3-dithiol-2-ylidene]-5-(pyran-4-ylidene)-1,3,4,6-tetrathiapentalene, have been prepared. Cyclic voltammetry demonstrated that chalcogen atom exchange at chalcogenopyran moiety in donors strongly influenced their redox potentials. Electrical conductivity of all their salts showed a semiconducting behavior with relatively small activation energy. Crystal structure of (SM-PDT)(TCNQ), where TM-PDT is 2-[4,5-bis(selenomethyl)-1,3-dithiol-2-ylidene]-5-(pyran-4-ylidene)-1,3,4,6-tetrathiapentalene, has been revealed to compose of the D-A type mixed stacks.

  DOI：

  10.1080/10587250210766