24,30,36,41-Tetratert-butyl-9,14-diiodo-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene | 171085-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 24,30,36,41-Tetratert-butyl-9,14-diiodo-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene
• CAS: 171085-63-5
• 化学式: C₅₈H₆₈I₂O₆S₂
• 分子量: 1179.12
• InChiKey: MKTQDFHGFPIINF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.1
• 重原子数：
  68
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,5-二甲氧基苯硼酸 、 24,30,36,41-Tetratert-butyl-9,14-diiodo-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene 在 Ti₂CO₃ 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 以82%的产率得到24,30,36,41-Tetratert-butyl-9,14-bis(2,5-dimethoxyphenyl)-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene
  参考文献：
  名称：

  Na⁺ Specific Emission Changes in an Ionophoric Conjugated Polymer

  摘要：

  The emission and absorption characteristics of a conjugated poly(phenylene bithiophene), 2, and a monomeric model compound, 3, were investigated as a function of [Li+], [Na+], [K+], and [Ca2+]. The calix-[4]arene bithiophene receptor that is present in both 2 and 3 provides selectively for Na+ and the absorption and emission characteristics are not affected by Li+, K+, or Ca2+. Both systems display absorption spectra which are relatively insensitive to Na+; however, the Stokes shift of the emission is reduced by added Na+ For the model system 3, increasing [Naf] provides a shift of the emission that is consistent with an equilibrium mixture of bound and unbound receptor. The polymer 2 displays a larger shift in the emission in response to Na+ and due to multiple binding sites lacks an isoemissive point. The chain length of the polymer also has an effect on this behavior. This behavior may be due to energy migration to regions of the polymer which do not have bound Na+ and can relax to lower energy conformations. This description is also borne out by the reduction in the lifetimes of the excited states with increasing [Na+] for both the polymer 2 and the model system 3. This mechanism may provide a route to systems which can function as digital indicators at critical concentrations of analytes.

  DOI：

  10.1021/ja9737230
• 作为产物：
  描述：

  3-(2-hydroxyethoxy)thiophene 在 吡啶 、 正丁基锂 、 iron(III)-acetylacetonate 、 四甲基乙二胺 、 mercury(II) diacetate 、 碘 、 4-甲基苯磺酸吡啶 、 sodium hydride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.67h， 生成 24,30,36,41-Tetratert-butyl-9,14-diiodo-45,46-dimethoxy-3,6,17,20-tetraoxa-10,13-dithiaoctacyclo[20.15.7.128,32.139,43.02,34.07,11.012,16.021,26]hexatetraconta-1,7(11),8,12(16),14,21,23,25,28(46),29,31,34,36,39,41,43(45)-hexadecaene
  参考文献：
  名称：

  Ionoresistivity as a highly sensitive sensory probe: investigations of polythiophenes functionalized with calix[4]arene-based ion receptors

  摘要：

  Herein we report the synthesis, optical, and electrochemical properties of a calix[4]arene-substituted polythiophene which demonstrates ion selective voltammetric, chromic, fluorescent, and resistive responses. The ionochromic response of this polythiophene on exposure to Na+ shows an increased effective conjugation length of the polymer backbone. Despite this, Na+ induces a large positive shift in the potential at which the polymer is oxidized (>+100 mV) commensurate with a large decrease in conductivity (>99%). Although the calix[4]arene-substituted polythiophene exhibits no changes in the W-vis spectrum and only minimal changes in the voltammetric responses on exposure to Li+ or K+, there are large decreases in relative conductivities (69% and 47%, respectively). Thus, although the sensory properties of this polymer are expressed via several measurable entities, the ionoresistive response is clearly the most sensitive. This sensitivity originates from the cooperative nature of carrier transport in a CP and is thus inherent in chemoresistive CPs.

  DOI：

  10.1021/ja00144a009