1,2-bis(2,6-bishydroxymethyl-4-methylphenoxy)ethane | 113683-35-5

• 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(2,6-bishydroxymethyl-4-methylphenoxy)ethane
• 英文别名: (2-{2-[2,6-Bis(hydroxymethyl)-4-methylphenoxy]ethoxy}-3-(hydroxymethyl)-5-methylphenyl)methanol；[2-[2-[2,6-bis(hydroxymethyl)-4-methylphenoxy]ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol
• CAS: 113683-35-5
• 化学式: C₂₀H₂₆O₆
• 分子量: 362.423
• InChiKey: CFZQBKOMTYTCKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2-bis(2,6-bishydroxymethyl-4-methylphenoxy)ethane 在 四溴化碳 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以65%的产率得到1,2-bis(2,6-bis-bromomethyl-4-methylphenoxy)ethane
  参考文献：
  名称：

  在化合价，方向性和序列控制下，在小分子上“印刷” DNA链模式。

  摘要：

  在过去的二十年中，将合成分子作为角落单元掺入DNA结构中一直很受关注。在这项工作中，我们提出了一种简便的方法，该方法可通过简单的三向连接结构的“印刷”过程生成具有可控价，不同序列和方向性（5'–3'）的支链小分子-DNA杂种。我们还表明，DNA印迹小分子可以使用聚合酶链反应（PCR）进行不对称延伸，并且可以进行化学复制。该策略提供了在DNA纳米技术中实现新的结构基序并为DNA纳米结构引入新功能的机会。

  DOI：

  10.1002/anie.201809251
• 作为产物：
  描述：

  2-羟基-5-甲基间苯二甲醇 、 1,2-二溴乙烷 在 potassium carbonate 作用下， 生成 1,2-bis(2,6-bishydroxymethyl-4-methylphenoxy)ethane
  参考文献：
  名称：

  Richards, Trevor I.; Layden, Keith; Warminski, Edward E., Journal of the Chemical Society. Perkin transactions I, 1987, p. 2765 - 2774

  摘要：

  DOI：

文献信息

• Richards, Trevor I.; Layden, Keith; Warminski, Edward E., Journal of the Chemical Society. Perkin transactions I, 1987, p. 2765 - 2774
  作者：Richards, Trevor I.、Layden, Keith、Warminski, Edward E.、Milburn, Peter J.、Haslam, Edwin

  DOI：——

  日期：——
• RICHARDS, TREVOR I.;LAYDEN, KEITH;WARMINSKI, EDWARD E.;MILBURN, PETER J.;+, J. CHEM. SOC. PERKIN TRANS., 1,(1987) N 12, 2765-2773
  作者：RICHARDS, TREVOR I.、LAYDEN, KEITH、WARMINSKI, EDWARD E.、MILBURN, PETER J.、+

  DOI：——

  日期：——
• Synthesis of multi-imidazolium salt ligands containing calixarene fragments and their N-heterocyclic carbene Ag(I) macrocyclic complexes
  作者：Lin Guo、Xi-Zhen Song、Cai-Xia Lin、Qing-Shan Li、Chuan Liu、Wen-Hu Wang、Feng-Bo Xu

  DOI：10.1016/j.poly.2014.09.043

  日期：2015.1

  The unsymmetric bis-imidazolium salts ligands 4a and b were prepared by stepwise reactions of 2,6-bis(bromomethylene)-4-(t-butyl)anisole (1) with two different N-substituted imidazoles. Reaction of the bis-imidazolium ligands with Ag2O in acetonitrile gave the dinuclear bis(N-heterocyclic carbene) complexes 5a and b. The molecular structure of complex 5a was determined by single-crystal X-ray diffraction analysis. In complex 5a and b, the two C-carbene-AB-C-carbene axes are in a crossed conformation, two O atoms from phenoxyl groups weakly coordinate to different Ag ions and the two p-t-butylphenoxyl groups adopted a staggered conformation. To regulate the molecular shape of the N-heterocyclic carbene Ag(I) macrocyclic complexes, two tetradentate imidazolium ligands (9a and b) were prepared. The bimetallic NHC-Ag(I) complexes 10a and b were obtained by the reaction of 9a and b and Ag2O in acetonitrile. Constrained by the chain (the dioxoethylene or dioxomethylenebenzene chain in 10a or 10b, respectively) at the O-position of the phenoxyl group, the two p-methylphenoxyl groups in complexes 10a and b might be predicted to have a cone conformation. The ligands and the corresponding NHC metal complexes have been characterized by elemental analysis, H-1 NMR and C-13 NMR, HRMS spectra, as well as TGA and DTA spectra being determined for complexes 10a and b. The TGA curves show that these NHC-Ag complexes have good thermal stability. (C) 2014 Elsevier Ltd. All rights reserved.
• “Printing” DNA Strand Patterns on Small Molecules with Control of Valency, Directionality, and Sequence
  作者：Tuan Trinh、Daniel Saliba、Chenyi Liao、Donatien de Rochambeau、Alexander Lee Prinzen、Jianing Li、Hanadi F. Sleiman

  DOI：10.1002/anie.201809251

  日期：2019.3.4

  of synthetic molecules as corner units in DNA structures has been of interest over the last two decades. In this work, we present a facile method for generating branched small molecule‐DNA hybrids with controllable valency, different sequences, and directionalities (5′–3′) using a “printing” process from a simple 3‐way junction structure. We also show that the DNA‐imprinted small molecule can be extended

  在过去的二十年中，将合成分子作为角落单元掺入DNA结构中一直很受关注。在这项工作中，我们提出了一种简便的方法，该方法可通过简单的三向连接结构的“印刷”过程生成具有可控价，不同序列和方向性（5'–3'）的支链小分子-DNA杂种。我们还表明，DNA印迹小分子可以使用聚合酶链反应（PCR）进行不对称延伸，并且可以进行化学复制。该策略提供了在DNA纳米技术中实现新的结构基序并为DNA纳米结构引入新功能的机会。