[2-[2-[2-[2-[2-[2-[2,6-Bis(hydroxymethyl)-4-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol | 500297-36-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [2-[2-[2-[2-[2-[2-[2,6-Bis(hydroxymethyl)-4-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol
• 英文别名: [2-[2-[2-[2-[2-[2-[2,6-bis(hydroxymethyl)-4-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol
• CAS: 500297-36-9
• 化学式: C₂₈H₄₂O₁₀
• 分子量: 538.635
• InChiKey: VLVZVIFPIUPBIF-UHFFFAOYSA-N

物化性质

• 沸点：
  725.0±60.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  38
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [2-[2-[2-[2-[2-[2-[2,6-Bis(hydroxymethyl)-4-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol 在 三溴化磷 作用下， 以 1,4-二氧六环 为溶剂， 以74%的产率得到2-[2-[2-[2-[2-[2-[2,6-Bis(bromomethyl)-4-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1,3-bis(bromomethyl)-5-methylbenzene
  参考文献：
  名称：

  Complexation behavior and crystal structure of a dithia[16.3.3](1,2,6)cyclophane: a novel one-dimensional coordination polymer with perchlorate anions as linkers

  摘要：

  The synthesis of 20,28-dimethyl-24,33-dithia-1,4,7,10,13,16-hexaoxa[16.3.3](1,2,6)cyclophane3 was achieved by cesium carbonate-assisted high dilution cyclization. Cyclophane 3 exhibited strong complexation towards all alkali metal ions. The change in chemical shift for the bridge methylene protons upon addition of alkali metal ions correlated to log K-a. The crystal structure of cyclophane 3 as well as its sodium and potassium complexes was studied. Cyclophane 3 formed a novel one-dimensional coordination polymer with potassium perchlorate using anions as the linkers, while the complex of 3 with sodium perchlorate had a dimeric structure. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02243-8
• 作为产物：
  描述：

  2-羟基-5-甲基间苯二甲醇 、 1,14-二溴-3,6,9,12-四恶十四烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以66%的产率得到[2-[2-[2-[2-[2-[2-[2,6-Bis(hydroxymethyl)-4-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol
  参考文献：
  名称：

  Complexation behavior and crystal structure of a dithia[16.3.3](1,2,6)cyclophane: a novel one-dimensional coordination polymer with perchlorate anions as linkers

  摘要：

  The synthesis of 20,28-dimethyl-24,33-dithia-1,4,7,10,13,16-hexaoxa[16.3.3](1,2,6)cyclophane3 was achieved by cesium carbonate-assisted high dilution cyclization. Cyclophane 3 exhibited strong complexation towards all alkali metal ions. The change in chemical shift for the bridge methylene protons upon addition of alkali metal ions correlated to log K-a. The crystal structure of cyclophane 3 as well as its sodium and potassium complexes was studied. Cyclophane 3 formed a novel one-dimensional coordination polymer with potassium perchlorate using anions as the linkers, while the complex of 3 with sodium perchlorate had a dimeric structure. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02243-8

文献信息

• Complexation behavior and crystal structure of a dithia[16.3.3](1,2,6)cyclophane: a novel one-dimensional coordination polymer with perchlorate anions as linkers
  作者：Jianwei Xu、Yee-Hing Lai

  DOI：10.1016/s0040-4039(02)02243-8

  日期：2002.12

  The synthesis of 20,28-dimethyl-24,33-dithia-1,4,7,10,13,16-hexaoxa[16.3.3](1,2,6)cyclophane3 was achieved by cesium carbonate-assisted high dilution cyclization. Cyclophane 3 exhibited strong complexation towards all alkali metal ions. The change in chemical shift for the bridge methylene protons upon addition of alkali metal ions correlated to log K-a. The crystal structure of cyclophane 3 as well as its sodium and potassium complexes was studied. Cyclophane 3 formed a novel one-dimensional coordination polymer with potassium perchlorate using anions as the linkers, while the complex of 3 with sodium perchlorate had a dimeric structure. (C) 2002 Elsevier Science Ltd. All rights reserved.