| 1574657-70-7

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• CAS: 1574657-70-7
• 化学式: C₆₀H₅₂O₂
• 分子量: 805.072
• InChiKey: HCYPHCPXWGWZST-DOJRFIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.65
• 重原子数：
  62.0
• 可旋转键数：
  4.0
• 环数：
  30.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  39,40,47,48-Tetraethyl-6,9,25,28-tetrakis(methoxymethoxy)-17,36-dioxaundecacyclo[31.5.2.22,5.26,9.210,13.214,20.221,24.225,28.229,32.015,19.034,38]tetrapentaconta-1(39),2(54),3,5(53),10(50),11,13(49),14(48),15(19),20(47),21,23,29,31,33(40),34(38),41,45-octadecaene 在 sodium hydrogensulfate monohydrate 作用下， 以 二甲基亚砜 、 间二甲苯 为溶剂， 反应 48.0h， 以3%的产率得到
  参考文献：
  名称：

  Synthesis of Substituted [8]Cycloparaphenylenes by [2 + 2 + 2] Cycloaddition

  摘要：

  A new modular approach to the smallest substituted cycloparaphenylenes (CPPs) is presented. This versatile method permits access to substituted CPPs, choosing the substituent at a late stage of the synthesis. Variously substituted [8]CPPs have been synthesized, and their properties analyzed. The structural characteristics of substituted CPPs are close to those of unsubstituted CPPs. However, their optoelectronic behavior differs remarkably due to the larger torsion angle between the phenyl units.

  DOI：

  10.1021/ol500194s