3-[[2-[4,5-Bis(2-cyanoethyltellanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethyltellanyl)-1,3-dithiol-4-yl]tellanyl]propanenitrile | 199799-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 3-[[2-[4,5-Bis(2-cyanoethyltellanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethyltellanyl)-1,3-dithiol-4-yl]tellanyl]propanenitrile
• 英文别名: 3-[[2-[4,5-bis(2-cyanoethyltellanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethyltellanyl)-1,3-dithiol-4-yl]tellanyl]propanenitrile
• CAS: 199799-82-1
• 化学式: C₁₈H₁₆N₄S₄Te₄
• 分子量: 927.016
• InChiKey: TXIQNNKJHYVOLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.47
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  196
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,3-二溴-2-甲基丙烷 、 3-[[2-[4,5-Bis(2-cyanoethyltellanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethyltellanyl)-1,3-dithiol-4-yl]tellanyl]propanenitrile 在 potassium tert-butylate 作用下， 生成
  参考文献：
  名称：

  Synthesis and Properties of (Propyleneditelluro)tetrathiafulvalene Donors

  摘要：

  The title (propyleneditelluro)tetrathiafulvalenes have been synthesized as the first examples of tellurocycle-fused TTF donors. They demonstrated characteristic multi-redox behavior due to both redox-active TTF and interactive tellurium parts. However, they, like tetrakis(alkyltelluro)TTFs, formed a mixed-stack type of charge-transfer complexes with TCNQ and TCNQF(2). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01784-x
• 作为产物：
  描述：

  3-溴丙腈 、 以40%的产率得到3-[[2-[4,5-Bis(2-cyanoethyltellanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethyltellanyl)-1,3-dithiol-4-yl]tellanyl]propanenitrile
  参考文献：
  名称：

  Synthesis and Properties of (Propyleneditelluro)tetrathiafulvalene Donors

  摘要：

  The title (propyleneditelluro)tetrathiafulvalenes have been synthesized as the first examples of tellurocycle-fused TTF donors. They demonstrated characteristic multi-redox behavior due to both redox-active TTF and interactive tellurium parts. However, they, like tetrakis(alkyltelluro)TTFs, formed a mixed-stack type of charge-transfer complexes with TCNQ and TCNQF(2). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01784-x

文献信息

• Synthesis and Properties of (Propyleneditelluro)tetrathiafulvalene Donors
  作者：Koji Tsutsui、Kazuo Takimiya、Yoshio Aso、Tetsuo Otsubo

  DOI：10.1016/s0040-4039(97)01784-x

  日期：1997.10

  The title (propyleneditelluro)tetrathiafulvalenes have been synthesized as the first examples of tellurocycle-fused TTF donors. They demonstrated characteristic multi-redox behavior due to both redox-active TTF and interactive tellurium parts. However, they, like tetrakis(alkyltelluro)TTFs, formed a mixed-stack type of charge-transfer complexes with TCNQ and TCNQF(2). (C) 1997 Elsevier Science Ltd.