{2-[4-(2,6-Bis-hydroxymethyl-4-methyl-phenoxymethyl)-benzyloxy]-3-hydroxymethyl-5-methyl-phenyl}-methanol | 500991-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: {2-[4-(2,6-Bis-hydroxymethyl-4-methyl-phenoxymethyl)-benzyloxy]-3-hydroxymethyl-5-methyl-phenyl}-methanol
• 英文别名: [2-[[4-[[2,6-Bis(hydroxymethyl)-4-methylphenoxy]methyl]phenyl]methoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol
• CAS: 500991-87-7
• 化学式: C₂₆H₃₀O₆
• 分子量: 438.521
• InChiKey: JGQRRBMQNPDYLO-UHFFFAOYSA-N

物化性质

• 沸点：
  666.7±50.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  {2-[4-(2,6-Bis-hydroxymethyl-4-methyl-phenoxymethyl)-benzyloxy]-3-hydroxymethyl-5-methyl-phenyl}-methanol 在 三溴化磷 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 5-Methyl-2-[[4-[[4-methyl-2,6-bis(prop-2-ynoxymethyl)phenoxy]methyl]phenyl]methoxy]-1,3-bis(prop-2-ynoxymethyl)benzene
  参考文献：
  名称：

  Synthesis and conformational behaviour of new intra-annularly linked cyclophane possessing a 1,6-dioxahexa-2,4-diyne spacer

  摘要：

  The new intra-annularly linked cyclophane 1 was synthesized in five steps from p-cresol by intramolecular Eglington coupling of precyclophane 5. From the H-1 NMR data, it was evident that the cyclophane I exists predominantly as conformer 1a rather than 1b at room temperature. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01854-3
• 作为产物：
  描述：

  对甲酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 、 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 反应 240.0h， 生成 {2-[4-(2,6-Bis-hydroxymethyl-4-methyl-phenoxymethyl)-benzyloxy]-3-hydroxymethyl-5-methyl-phenyl}-methanol
  参考文献：
  名称：

  Synthesis and conformational behaviour of new intra-annularly linked cyclophane possessing a 1,6-dioxahexa-2,4-diyne spacer

  摘要：

  The new intra-annularly linked cyclophane 1 was synthesized in five steps from p-cresol by intramolecular Eglington coupling of precyclophane 5. From the H-1 NMR data, it was evident that the cyclophane I exists predominantly as conformer 1a rather than 1b at room temperature. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01854-3

文献信息

• 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.