6-[4-(6-hydroxyhexyloxy)-2,5-diiodophenoxy]-hexan-1-ol | 238421-14-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-[4-(6-hydroxyhexyloxy)-2,5-diiodophenoxy]-hexan-1-ol
• 英文别名: 1,4-bis(6-hydroxyhexyloxy)-2,5-diiodobenzene；6-[4-(6-hydroxyhexyloxy)-2,5-diiodophenoxy]hexan-1-ol；6-[4-(6-Hydroxyhexoxy)-2,5-diiodophenoxy]hexan-1-ol
• CAS: 238421-14-2
• 化学式: C₁₈H₂₈I₂O₄
• 分子量: 562.227
• InChiKey: MGCRXBUSDZBQJF-UHFFFAOYSA-N

物化性质

• 沸点：
  584.7±50.0 °C(Predicted)
• 密度：
  1.645±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-[4-(6-hydroxyhexyloxy)-2,5-diiodophenoxy]-hexan-1-ol 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以61%的产率得到1,4-bis(6-chlorohexyloxy)-2,5-diiodobenzene
  参考文献：
  名称：

  Supramolecular Polymer Networks Based on Calix[5]arene Tethered Poly(p-phenyleneethynylene)

  摘要：

  A poly(p-phenyleneethynylene) polymer (PC[5]), featuring two pi-rich cone-like calix[5]arene cavities (assembling cores) connected to a rigid p-phenyleneethynylene spacer, was synthesized by a Pd-catalyzed cross-coupling reaction. NMR investigations provide support for the self-assembly dynamics of PC[5] (homopolytopic host molecule) and complementary 1,10-decanediyldiammonium (C-10) guest in solution in the construction of supramolecular polymer networks. Upon variation of the host/guest molar ratio, two distinct types of assemblies were identified in solution: a 1:2 bis-endo-cavity assembly C-10 subset of PC[5]superset of C-10 (PC[5](cap)) and a polycapsular polymer network assembly PC[5]superset of C-10 subset of PC[5] (PC[5](net)). The reversibility of the assembly/disassembly processes of PC[5](net) and PC[5](cap) upon successive additions of Et3N and TFA was also investigated. AFM analysis of PC[5](net) revealed the formation of a homogeneous continuous network on, surface.

  DOI：

  10.1021/ma3015239
• 作为产物：
  描述：

  6,6'-(1,4-亚苯基二(氧基))二(己-1-醇) 以 甲醇 为溶剂， 以36%的产率得到6-[4-(6-hydroxyhexyloxy)-2,5-diiodophenoxy]-hexan-1-ol
  参考文献：
  名称：

  Influence of the Grafting Density on the Self-Assembly in Poly(phenyleneethynylene)-g-poly(3-hexylthiophene) Graft Copolymers

  摘要：

  Conjugated graft copolymers consisting of a chiral poly(phenyleneethynylene) (PPE) backbone and poly(3-hexylthiophene) side chains (P3HT) with different grafting degrees were synthesized. While PPE was prepared by classical Sonogashira couplings, the end-functionalized P3HT was prepared by a controlled Kumada catalyst transfer poly-condensation (KCTP) allowing the installation of an acetylene end group. After some postpolymerization reactions on the PPE to introduce azide groups, the P3HT was clicked to the PPE through the CuAAC coupling reaction. Subsequently, the (chiral) self-assembly of these materials was studied by means of UV vis and CD spectroscopy, AFM, and DSC. Finally, fluorescence spectroscopy is used to study the quenching of the PPE fluorescence by P3HT.

  DOI：

  10.1021/acs.macromol.5b01830

文献信息

• Supramolecule-Regulated Photophysics of Oligo(p-phenyleneethynylene)-Based Rod–Coil Block Copolymers: Effect of Molecular Architecture
  作者：Kan-Yi Pu、Xiao-Ying Qi、Yan-Lian Yang、Xiao-Mei Lu、Ting-Cheng Li、Qu-Li Fan、Chen Wang、Bin Liu、Hardy Sze On Chan、Wei Huang

  DOI：10.1002/chem.200700305

  日期：2008.1.28

  Three new topology-varied rod-coil block copolymers, comprising the same oligo(p-phenyleneethynylene) (OPE) rod components and the same coil components, were synthesized by atom-transfer radical polymerization. Their photophysical properties were systematically studied and compared in consideration of their solid-state structures and self-assembly abilities. These copolymers have similar intrinsic photophysical

  通过原子转移自由基聚合反应合成了三种新的拓扑变化的杆-线圈嵌段共聚物，它们包含相同的低聚（对亚苯基亚乙炔基）（OPE）杆组分和相同的线圈组分。考虑到它们的固态结构和自组装能力，对它们的光物理性质进行了系统地研究和比较。这些共聚物在稀释溶液中具有与OPE棒相似的固有光物理性质。然而，它们的固态光物理性质被超分子组织操纵而相异。广角X射线衍射（WAXD）和原子力显微镜（AFM）数据表明，由于棒的分子结构依赖性pi-pi相互作用，这些共聚物具有不同的自组装能力。因此，
• Organic thin film transistors comprising thienyl oligomers and their use as gaseous phase sensors
  申请人：Babudri Francesco

  公开号：US20100140597A1

  公开（公告）日：2010-06-10

  This invention pertains to gaseous analytes sensor devices comprising organic thin film transistor and, in particular sensors able to perform the enantiomeric discrimination of gaseous analytes. The organic thin films are characterized by comprising a compound of formula (I).

  本发明涉及气体分析物传感器装置，包括有机薄膜晶体管，特别是能够执行气体分析物对映异构体鉴别的传感器。有机薄膜的特征是包含公式（I）的化合物。
• WO2008/96239
  申请人：——

  公开号：——

  公开（公告）日：——
• EFFICIENT PHOTOLUMINESCENT POLARIZERS, PROCESS FOR FORMING, AND APPLICATION IN DISPLAY DEVICES
  申请人：Landqart

  公开号：EP1051646B1

  公开（公告）日：2004-03-03
• ORGANIC THIN FILM TRANSISTORS COMPRISING THIENYL OLIGOMERS AND THEIR USE AS GASEOUS PHASE SENSORS
  申请人：Universita' Degli Studi di Bari

  公开号：EP2121647A1

  公开（公告）日：2009-11-25