(R)-1,4-bis(2-(3,4-ethylenedioxy)thienyl)-2-benzoic acid 1-methyl heptyl ester | 849662-98-2

• 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: (R)-1,4-bis(2-(3,4-ethylenedioxy)thienyl)-2-benzoic acid 1-methyl heptyl ester
• 英文别名: [(2R)-octan-2-yl] 2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)benzoate
• CAS: 849662-98-2
• 化学式: C₂₇H₃₀O₆S₂
• 分子量: 514.664
• InChiKey: VAKPODRAPBFMFK-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  L-2-辛醇 、 2,5-二溴苯甲酸 在 bis-triphenylphosphine-palladium(II) chloride 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 (R)-1,4-bis(2-(3,4-ethylenedioxy)thienyl)-2-benzoic acid 1-methyl heptyl ester
  参考文献：
  名称：

  Control of Chirality and Electrochromism in Copolymer-Type Chiral PEDOT Derivatives by Means of Electrochemical Oxidation and Reduction

  摘要：

  Copolymer-type chiral poly(ethylenedioxythiophene) [PEDOT] derivatives were synthesized by two kinds of electrochemical polymerizations of (i) chiral EDOT-based monomers using a cyclic voltammetric method in acetonitrile and (ii) achiral EDOT-based monomers using a potentiostatic method in chiral nematic liquid crystal (N*-LC) employed as an asymmetric reaction field. The electrochromic and morphological changes of the chiral PEDOT derivatives upon electrochemical doping and dedoping were investigated. Drastic and reversible changes in not only electrochromism but also circular dichroism. between neutral and oxidized states of the chiral PEDOT derivatives were observed. This indicates that the helicity of the present polymers can be controlled by the electrochemical doping and dedoping procedures. It is found that the helically twisted chain and/or helically pi-stacked PEDOT derivative axe suppressed in the oxidized state, where the main chain becomes planar structure and the inter chain distances are lengthened due to intercalation of dopants into the chains and left-handed screw directions were observed for the polymers synthesized in the N*-LC and well the N*-LCs. structure formed in the neutral due to a formation of quinoid. Spiral morphologies with right-correlated with spiral textures of the N*-LCs.

  DOI：

  10.1021/ma102861t