2-[2-(苄氧基)苄基]-1,3-丙二醇 | 106419-92-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-[2-(苄氧基)苄基]-1,3-丙二醇
• 英文名称: 2-[2-(benzyloxy)benzyl]-1,3-propanediol
• 英文别名: 2-(2-(benzyloxy)benzyl)propane-1,3-diol
• CAS: 106419-92-5
• 化学式: C₁₇H₂₀O₃
• 分子量: 272.344
• InChiKey: PPPOVPGHSGPDFE-UHFFFAOYSA-N

物化性质

• 沸点：
  470.8±35.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 重原子数：
  20.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49.69
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-[2-(苄氧基)苄基]-1,3-丙二醇 在 palladium on activated charcoal 吡啶 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  2-Benzyl and 2-phenyl-3-hydroxypropyl pivalates as protein kinase C ligands

  摘要：

  A series of 2-benzyl and 2-phenyl-3-hydroxypropyl pivalates designed to incorporate the principal pharmacophores of phorbol esters have been synthesized and tested as PKC-alpha ligands. Among the analogues, 13c exhibited the most potent binding affinity with a K-i = 0.7 mu M. The synthesized analogues were subjected to molecular modeling analysis based on two alternative models of the phorbol pharmacophore and a docking study or 13c was carried out. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.051
• 作为产物：
  描述：

  1-(苄氧基)-2-(氯甲基)苯 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 2-[2-(苄氧基)苄基]-1,3-丙二醇
  参考文献：
  名称：

  2-Benzyl and 2-phenyl-3-hydroxypropyl pivalates as protein kinase C ligands

  摘要：

  A series of 2-benzyl and 2-phenyl-3-hydroxypropyl pivalates designed to incorporate the principal pharmacophores of phorbol esters have been synthesized and tested as PKC-alpha ligands. Among the analogues, 13c exhibited the most potent binding affinity with a K-i = 0.7 mu M. The synthesized analogues were subjected to molecular modeling analysis based on two alternative models of the phorbol pharmacophore and a docking study or 13c was carried out. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.10.051

文献信息

• An aryne triggered ring-opening fluorination of cyclic thioethers with potassium fluoride
  作者：Rong Fan、Binbin Liu、Tianyu Zheng、Kun Xu、Chen Tan、Tianlong Zeng、Shuaisong Su、Jiajing Tan

  DOI：10.1039/c8cc03766c

  日期：——

  report an aryne triggered ring-opening fluorination protocol of a great variety of saturated sulfur heterocycles. A key factor for the success is the identification of a suitable mediator. Compared to previous methods, this transition-metal free protocol employs low-cost potassium fluoride as the fluorine source. The operational simplicity and mild reaction conditions allow for the rapid synthesis of a

  在这里，我们报告了多种饱和硫杂环的芳烃触发的开环氟化方案。成功的关键因素是确定合适的调解人。与以前的方法相比，这种无过渡金属的方案使用低成本的氟化钾作为氟源。操作简便和反应条件温和，可快速合成各种产率良好的脂肪族氟化物。