2-[1,3-Bis(4-prop-2-enoxyphenyl)propan-2-yl]-2-methylpropane-1,3-diol | 1595262-50-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-[1,3-Bis(4-prop-2-enoxyphenyl)propan-2-yl]-2-methylpropane-1,3-diol
• 英文别名: 2-[1,3-bis(4-prop-2-enoxyphenyl)propan-2-yl]-2-methylpropane-1,3-diol
• CAS: 1595262-50-2
• 化学式: C₂₅H₃₂O₄
• 分子量: 396.527
• InChiKey: NXTIGCHBINQDDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  2-[1,3-Bis(4-prop-2-enoxyphenyl)propan-2-yl]-2-methylpropane-1,3-diol 在 titanium(IV) isopropylate 、 三甲基氯硅烷 、 sodium hydride 、 magnesium 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[4-Hexoxy-3-(hexoxymethyl)-2-[(4-hydroxyphenyl)methyl]-3-methylbutyl]phenol
  参考文献：
  名称：

  Design and synthesis of 2-(1,3-dialkoxy-2-methylpropan-2-yl)-1,3-diarylpropanes as tethering units for folded H-stacking polymers

  摘要：

  1,3-Diarylpropenes 9 having a 1,3-dialkoxy-2-methylpropan-2-yl group were designed as tethering monomers for folded H-stacking polymers, and were readily synthesized from 2-ethoxymethylidene malonate in four- or five-steps, including a facile sequential addition-elimination-addition reaction of benzyl zinc reagents. The preference for the closed (stacked) conformation in the resulting 2-substituted 1,3-diarylpropanes 9 was evaluated using MM2 calculations, H-1 NMR analyses, and fluorescence measurements. Copolymerization of the resulting monomers 9 with compounds containing pi-units provided polymers with blue-shifted UV-absorptions both in solution and as films, compared with that of a model compound containing a single pi-unit. This optical property is unique to H-aggregated pi-units. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.020
• 作为产物：
  描述：

  1-(烯丙氧基)-4-(溴甲基)苯 在 lithium aluminium tetrahydride 、 sodium hydride 、 锌 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[1,3-Bis(4-prop-2-enoxyphenyl)propan-2-yl]-2-methylpropane-1,3-diol
  参考文献：
  名称：

  Design and synthesis of 2-(1,3-dialkoxy-2-methylpropan-2-yl)-1,3-diarylpropanes as tethering units for folded H-stacking polymers

  摘要：

  1,3-Diarylpropenes 9 having a 1,3-dialkoxy-2-methylpropan-2-yl group were designed as tethering monomers for folded H-stacking polymers, and were readily synthesized from 2-ethoxymethylidene malonate in four- or five-steps, including a facile sequential addition-elimination-addition reaction of benzyl zinc reagents. The preference for the closed (stacked) conformation in the resulting 2-substituted 1,3-diarylpropanes 9 was evaluated using MM2 calculations, H-1 NMR analyses, and fluorescence measurements. Copolymerization of the resulting monomers 9 with compounds containing pi-units provided polymers with blue-shifted UV-absorptions both in solution and as films, compared with that of a model compound containing a single pi-unit. This optical property is unique to H-aggregated pi-units. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.020

文献信息

• Design and synthesis of 2-(1,3-dialkoxy-2-methylpropan-2-yl)-1,3-diarylpropanes as tethering units for folded H-stacking polymers
  作者：Ryota Moriai、Yu-suke Naito、Ryosuke Nomura、Shigeaki Funyu、Ken-ich Ishitsuka、Naoki Asano、Sentaro Okamoto

  DOI：10.1016/j.tetlet.2014.03.020

  日期：2014.4

  1,3-Diarylpropenes 9 having a 1,3-dialkoxy-2-methylpropan-2-yl group were designed as tethering monomers for folded H-stacking polymers, and were readily synthesized from 2-ethoxymethylidene malonate in four- or five-steps, including a facile sequential addition-elimination-addition reaction of benzyl zinc reagents. The preference for the closed (stacked) conformation in the resulting 2-substituted 1,3-diarylpropanes 9 was evaluated using MM2 calculations, H-1 NMR analyses, and fluorescence measurements. Copolymerization of the resulting monomers 9 with compounds containing pi-units provided polymers with blue-shifted UV-absorptions both in solution and as films, compared with that of a model compound containing a single pi-unit. This optical property is unique to H-aggregated pi-units. (C) 2014 Elsevier Ltd. All rights reserved.