3,5-bis((3,5-bis(benzyloxy)benzyl)oxy)benzyl methanesulfonate | 246512-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,5-bis((3,5-bis(benzyloxy)benzyl)oxy)benzyl methanesulfonate
• CAS: 246512-25-4
• 化学式: C₅₀H₄₆O₉S
• 分子量: 822.976
• InChiKey: ORZGAMPMJSZXJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  955.4±65.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.64
• 重原子数：
  60.0
• 可旋转键数：
  21.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  98.75
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  3,5-bis((3,5-bis(benzyloxy)benzyl)oxy)benzyl methanesulfonate 在 18-冠醚-6 、 potassium carbonate 、 lithium bromide 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 3-[[3,5-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-(hydroxymethyl)phenol
  参考文献：
  名称：

  Dendrimer Analogues of Linear Molecules to Evaluate Energy and Charge-Transfer Properties

  摘要：

  We have designed and synthesized difunctionalized dendrimers containing two donors in the periphery and an acceptor at the core to serve as scaffolds for comparison with linear analogues to investigate the advantage of dendritic scaffolds for energy and charge transfer. Comparison of these dendrimers with the fully decorated dendrimers provides information on the advantage of chromophore density in energy/charge transfer from periphery to the core.

  DOI：

  10.1021/ol0608956
• 作为产物：
  描述：

  methanesulfonyl 3,5-dibenzyloxybenzyl alcohol 在 18-冠醚-6 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 3,5-bis((3,5-bis(benzyloxy)benzyl)oxy)benzyl methanesulfonate
  参考文献：
  名称：

  功能化树枝状聚醚的替代收敛和加速双阶段收敛方法

  摘要：

  描述了使用甲磺酸酯活化或Mitsunobu反应制备树突状大分子的其他收敛合成策略。通过使用双阶段收敛方法可以进一步加速合成。以优异的产率制备了两个叔丁基二苯基甲硅烷基保护的合成子3和5，并将其用于一锅法合成更高一代的聚醚树突。另外，这些合成子被用于制备在外围具有官能团的树突。图选项

  DOI：

  10.1016/s0040-4020(99)00566-9

文献信息

• Preparation and structural characterisation of terpy-cored dendrimers and dendriplexes
  作者：Edwin C. Constable、Catherine E. Housecroft、Markus Neuburger、Silvia Schaffner、Lukas J. Scherer

  DOI：10.1039/b408605h

  日期：——

  2,2′:6′,2″-Terpyridine (terpy) ligands and their iron(II) and cobalt(II) complexes bearing first and second generation Fréchet-type dendritic wedges have been prepared and structurally characterised. The rotational freedom within the dendritic wedge results in a great diversity in conformational space. Structural studies are reported on first generation species and their metal complexes, and the variety of inter- and intramolecular interactions which dominate the conformation of the dendrimer and the packing of the molecules (ions) in the lattice are discussed.

  2,2′:6′,2″-三联吡啶（terpy）配体及其铁(II)和钴(II)配合物，携带第一代和第二代Fréchet型树枝状楔，已被制备并结构表征。树枝状楔内的旋转自由度导致了构象空间的极大多样性。本文报道了第一代物种及其金属配合物的结构研究，并讨论了主导树枝状结构构象和分子（离子）在晶格中堆积的各种分子间和分子内相互作用。
• New unsymmetrical Schiff base Ni(<scp>ii</scp>) complexes as scaffolds for dendritic and amino acid superstructures
  作者：Dariusz Pawlica、Marek Marszałek、Grzegorz Mynarczuk、Lesław Sieroń、Julita Eilmes

  DOI：10.1039/b409298h

  日期：——

  An efficient stepwise template approach has been developed that leads to a novel Ni(II) complex of an unsymmetrical 1∶1∶1 Schiff base derived from o-phenylenediamine, benzoylacetone and salicylic aldehyde [abbreviated as salophbac Ni(II)]. The 3- and 5-hydroxysubstituted salicylic aldehydes lead to complexes containing reactive OH groups that were further employed as points of attachment for the ligand superstructures. A range of new O-substituted derivatives of salophbac Ni(II) complexes have been synthesized bearing N-protected (L)-amino acid moieties as well as poly(arylether) and poly(arylester) dendrons. New products have been characterized by means of 1H and 13C NMR, MS and IR data. The crystal structures of the 3-Boc–(L)-phenylalanyloxy, 3-Ac–(D,L)-alanyloxy and (3′,5′-dibenzyloxy)-3-benzyloxy derivatives of salophbac Ni(II) complexes have been determined. The supramolecular C–H⋯π, π⋯π interactions and hydrogen bonds are discussed on the basis of the crystallographic data.

  我们开发了一种高效的分步模板方法，从而得到了一种新型 Ni(II) 配合物，它是由邻苯二胺、苯甲酰丙酮和水杨醛衍生的不对称 1∶1∶1 席夫碱[缩写为 salophbac Ni(II)]。3- 羟基和 5-羟基取代的水杨醛产生了含有活性 OH 基团的配合物，这些基团被进一步用作配体超结构的连接点。我们合成了一系列新的水杨酸镍(II)O-取代衍生物，这些衍生物带有 N 保护的 (L)- 氨基酸分子以及聚（芳基醚）和聚（芳基酯）树枝状结构。通过 1H 和 13C NMR、MS 和 IR 数据对新产品进行了表征。此外，还测定了 3-Boc-(L)-phenylalanyloxy、3-Ac-(D,L)-alanyloxy 和 (3′,5′-dibenzyloxy)-3-benzyloxy 衍生物的丹酚巴克 Ni(II) 复合物的晶体结构。在晶体学数据的基础上讨论了超分子 C-H⋯π、π⋯π 相互作用和氢键。
• Toward the continuous-flow synthesis of chiral tertiary alcohols by enantioselective addition of organozinc reagents to ketones using nanosize isoborneol ligands
  作者：Vicente J. Forrat、Diego J. Ramón、Miguel Yus

  DOI：10.1016/j.tetasy.2008.02.002

  日期：2008.3

  The catalytic enantio selective addition of different organozinc reagents, such as alkyl or in situ generated phenylzinc derivatives to simple aryl ketones, was accomplished using titanium tetraisopropoxide and chiral ligands derived from trans-1-arenesulfonylamino-2-isoborneolsulfonylamidocyclohexane and Frechet-type dendrons with up to 2.5 nin of diameter, giving the corresponding tertiary alcohols with enantioselectivities up to >99%. A simple and efficient procedure for the synthesis of the ligands used is also described, involving the radical addition of the corresponding thiol dendron to the chiral styryl-isoborneol derivative. (C) 2008 Elsevier Ltd. All rights reserved.