| 1392515-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• CAS: 1392515-53-5
• 化学式: C₄₈H₅₈Br₂O₆
• 分子量: 890.793
• InChiKey: IHAYCBKOMLILLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.56
• 重原子数：
  56.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl-3-(4-methylbenzoyl)-7-(pyridine-4-yl)-indolizine-1-carboxylate 、 以 乙腈 为溶剂， 反应 20.0h， 以69%的产率得到
  参考文献：
  名称：

  New conjugates of calix[4]arenes bearing dipyridine and indolizine heterocycles

  摘要：

  A simple route to introduce various heterocycles, derivatives of dipyridyls and indolizines on the lower rim of the para-tertbutylcalix[4] arene via ester bond formation to afford 1,3-disubstituted conjugates is described. The conformation of the new compounds and some intermolecular interactions are discussed on the basis of X-ray and NMR analyses. Preliminary complexation properties of some of the new tert-butylcalix[4] arene heterocyclic conjugates with Cu (II), Co (II) and Ni (II) were studied by means of UV-Vis titration.

  DOI：

  10.1080/10610278.2012.688122
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 、 溴乙酰溴 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.33h， 以71%的产率得到
  参考文献：
  名称：

  New conjugates of calix[4]arenes bearing dipyridine and indolizine heterocycles

  摘要：

  A simple route to introduce various heterocycles, derivatives of dipyridyls and indolizines on the lower rim of the para-tertbutylcalix[4] arene via ester bond formation to afford 1,3-disubstituted conjugates is described. The conformation of the new compounds and some intermolecular interactions are discussed on the basis of X-ray and NMR analyses. Preliminary complexation properties of some of the new tert-butylcalix[4] arene heterocyclic conjugates with Cu (II), Co (II) and Ni (II) were studied by means of UV-Vis titration.

  DOI：

  10.1080/10610278.2012.688122