1,2-Bis-(3-{2-[2-(2-allyloxy-ethoxy)-phenoxy]-ethoxy}-phenyl)-1,1,2,2-tetramethyl-disilane | 920978-38-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2-Bis-(3-{2-[2-(2-allyloxy-ethoxy)-phenoxy]-ethoxy}-phenyl)-1,1,2,2-tetramethyl-disilane
• 英文别名: [Dimethyl-[3-[2-[2-(2-prop-2-enoxyethoxy)phenoxy]ethoxy]phenyl]silyl]-dimethyl-[3-[2-[2-(2-prop-2-enoxyethoxy)phenoxy]ethoxy]phenyl]silane；[dimethyl-[3-[2-[2-(2-prop-2-enoxyethoxy)phenoxy]ethoxy]phenyl]silyl]-dimethyl-[3-[2-[2-(2-prop-2-enoxyethoxy)phenoxy]ethoxy]phenyl]silane
• CAS: 920978-38-7
• 化学式: C₄₂H₅₄O₈Si₂
• 分子量: 743.057
• InChiKey: SWOVRTJACWAKID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.37
• 重原子数：
  52
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,2-Bis-(3-{2-[2-(2-allyloxy-ethoxy)-phenoxy]-ethoxy}-phenyl)-1,1,2,2-tetramethyl-disilane 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (24Z)-2,2,3,3-tetramethyl-9,12,19,22,27,30,37,40-octaoxa-2,3-disilapentacyclo[39.3.1.14,8.013,18.031,36]hexatetraconta-1(44),4,6,8(46),13,15,17,24,31,33,35,41(45),42-tridecaene 、
  参考文献：
  名称：

  Synthesis of macrocyclic polyethers via Ru complex-catalyzed metathesis cyclization and their use as the ring component of rotaxanes

  摘要：

  Ring closing metathesis of the vinyl group-terminated oligoethers catalyzed by RuCl2(=CHPh)(PCy3)(2) yielded macrocyclic polyethers containing vinylene group. The H-1 and C-13 NMR spectra indicated the presence of C=C double bond (trans/cis = ca. 80:20). The obtained 23-membered cyclic ether reacted with benzyi(anthrylmethl)ammonium hexafluorophosphate to produce the pseudo-rotaxane as colorless crystals. X-ray crystallography revealed N-(HO)-O-... hydrogen bonds and stacking of the aromatic planes between the host and guest molecules, which stabilized the rotaxane structure in the solid state. The H-1 NMR spectra of the solutions containing the macrocyclic polyether and several secondary ammonium salts indicated the formation of pseudo-[2]-rotaxanes. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.032
• 作为产物：
  描述：

  1,2-bis(3-methoxymethoxyphenyl)-1,1,2,2-tetramethyldisilane 在 盐酸 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 2.5h， 生成 1,2-Bis-(3-{2-[2-(2-allyloxy-ethoxy)-phenoxy]-ethoxy}-phenyl)-1,1,2,2-tetramethyl-disilane
  参考文献：
  名称：

  Synthesis of macrocyclic polyethers via Ru complex-catalyzed metathesis cyclization and their use as the ring component of rotaxanes

  摘要：

  Ring closing metathesis of the vinyl group-terminated oligoethers catalyzed by RuCl2(=CHPh)(PCy3)(2) yielded macrocyclic polyethers containing vinylene group. The H-1 and C-13 NMR spectra indicated the presence of C=C double bond (trans/cis = ca. 80:20). The obtained 23-membered cyclic ether reacted with benzyi(anthrylmethl)ammonium hexafluorophosphate to produce the pseudo-rotaxane as colorless crystals. X-ray crystallography revealed N-(HO)-O-... hydrogen bonds and stacking of the aromatic planes between the host and guest molecules, which stabilized the rotaxane structure in the solid state. The H-1 NMR spectra of the solutions containing the macrocyclic polyether and several secondary ammonium salts indicated the formation of pseudo-[2]-rotaxanes. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.032

文献信息

• Synthesis of macrocyclic polyethers via Ru complex-catalyzed metathesis cyclization and their use as the ring component of rotaxanes
  作者：Takeshi Umemiya、Daisuke Takeuchi、Kohtaro Osakada

  DOI：10.1016/j.jorganchem.2006.09.032

  日期：2006.12

  Ring closing metathesis of the vinyl group-terminated oligoethers catalyzed by RuCl2(=CHPh)(PCy3)(2) yielded macrocyclic polyethers containing vinylene group. The H-1 and C-13 NMR spectra indicated the presence of C=C double bond (trans/cis = ca. 80:20). The obtained 23-membered cyclic ether reacted with benzyi(anthrylmethl)ammonium hexafluorophosphate to produce the pseudo-rotaxane as colorless crystals. X-ray crystallography revealed N-(HO)-O-... hydrogen bonds and stacking of the aromatic planes between the host and guest molecules, which stabilized the rotaxane structure in the solid state. The H-1 NMR spectra of the solutions containing the macrocyclic polyether and several secondary ammonium salts indicated the formation of pseudo-[2]-rotaxanes. (c) 2006 Elsevier B.V. All rights reserved.