DMT-TTF-(CONHCH2CH2NH2)2 | 1224926-63-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: DMT-TTF-(CONHCH2CH2NH2)2
• 英文别名: 4-N,5-N-bis(2-aminoethyl)-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxamide
• CAS: 1224926-63-9
• 化学式: C₁₄H₂₀N₄O₂S₆
• 分子量: 468.734
• InChiKey: BXKOPZJFWQAXPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  262
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  DMT-TTF-(CONHCH2CH2NH2)2 在 硝酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以31%的产率得到
  参考文献：
  名称：

  Diamino−Diamido Tetrathiafulvalene for the Sensing of Anions and Cations: A View in Electrochemistry and Structure

  摘要：

  A new cation- and anion-sensitive system based on a TTF derivative with a diamino-diamido moiety (H2L) has been studied. The results of cyclic voltammetry indicated that the redox potentials of the protonated H2L (H4L2+) selectively respond to later transition metal cations and some oxo anions. Solid-state structures of the cation anion compounds formed by H4L2+ and oxo anions were characterized crystallographically, which is helpful to understand the matter of the sensitivity for the anion. There are two types of hydrogen bonds in these compounds, one is with an amino group and the other is with an amido group. The shift of the redox potential is obviously related to formation of hydrogen bonding with the amido group. The packing structures of these cation anion compounds are arranged to layered sandwiched structures assembled by an oxo-anion layer and two TTF layers through hydrogen bonding.

  DOI：

  10.1021/jp110010z
• 作为产物：
  描述：

  dimethyl 2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiole-4,5-dicarboxylate 、 乙二胺 以 水 、 乙腈 为溶剂， 反应 24.0h， 以76.5%的产率得到DMT-TTF-(CONHCH2CH2NH2)2
  参考文献：
  名称：

  与四硫富瓦烯部分结合的 Cu（ii）和Ni（ii）二氧四胺配合物；结构和溶液化学†

  摘要：

  新的双功能 四硫富瓦烯 （特遣队设计并合成了）衍生物，其中TTF部分（氧化还原官能团）与二氧四胺（配位官能团）结构整合在一起。像其他二氧四胺 化合物，它能够作为质子和离子的离子离开和接受的配体 铜（II） 和 镍（II）溶液中的离子。pH滴定实验表明，TTF单元为传统的配体增加了新的氧化还原特性。配体的氧化增加了亚氨基的酸度，并且金属离子的配位也对配体的氧化态敏感。配体形成一个方形配位的镍（II） 具有两个去质子化的亚氨基和两个氨基的复合物，或五配位的 铜（II）与其他溶剂分子形成复合物。这些化合物形成具有强N–H⋯O的带状结构氢 键，这是结晶形式的这类化合物的基本特征。

  DOI：

  10.1039/b921745b

文献信息

• Cu(ii) and Ni(ii) dioxotetraamine complexes integrated with tetrathiafulvalene moiety; structures and solution chemistry
  作者：Zhe-Jun Lu、Jin-Po Wang、Qin-Yu Zhu、Li-Bin Huo、Yu-Rong Qin、Jie Dai

  DOI：10.1039/b921745b

  日期：——

  A new bifunctional tetrathiafulvalene (TTF) derivative has been designed and synthesized, in which the TTF moiety (a redox functional group) is integrated with a dioxotetraamine (a coordination functional group) structure. Like other dioxotetraamine compounds, it is capable of acting as an ion leaving and accepting ligand for protons and Cu(II) and Ni(II) ions in solution. Experiments of pH titration

  新的双功能 四硫富瓦烯 （特遣队设计并合成了）衍生物，其中TTF部分（氧化还原官能团）与二氧四胺（配位官能团）结构整合在一起。像其他二氧四胺 化合物，它能够作为质子和离子的离子离开和接受的配体 铜（II） 和 镍（II）溶液中的离子。pH滴定实验表明，TTF单元为传统的配体增加了新的氧化还原特性。配体的氧化增加了亚氨基的酸度，并且金属离子的配位也对配体的氧化态敏感。配体形成一个方形配位的镍（II） 具有两个去质子化的亚氨基和两个氨基的复合物，或五配位的 铜（II）与其他溶剂分子形成复合物。这些化合物形成具有强N–H⋯O的带状结构氢 键，这是结晶形式的这类化合物的基本特征。
• Diamino−Diamido Tetrathiafulvalene for the Sensing of Anions and Cations: A View in Electrochemistry and Structure
  作者：Zheng Shi、Zhe-Jun Lu、Qin-Yu Zhu、Li-Bin Huo、Qiong-Hua Han、Guo-Qing Bian、Jie Dai

  DOI：10.1021/jp110010z

  日期：2011.3.31

  A new cation- and anion-sensitive system based on a TTF derivative with a diamino-diamido moiety (H2L) has been studied. The results of cyclic voltammetry indicated that the redox potentials of the protonated H2L (H4L2+) selectively respond to later transition metal cations and some oxo anions. Solid-state structures of the cation anion compounds formed by H4L2+ and oxo anions were characterized crystallographically, which is helpful to understand the matter of the sensitivity for the anion. There are two types of hydrogen bonds in these compounds, one is with an amino group and the other is with an amido group. The shift of the redox potential is obviously related to formation of hydrogen bonding with the amido group. The packing structures of these cation anion compounds are arranged to layered sandwiched structures assembled by an oxo-anion layer and two TTF layers through hydrogen bonding.