1,3,5-tris(4-(3-octylureido)phenoxy)benzene | 1167992-25-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3,5-tris(4-(3-octylureido)phenoxy)benzene
• 英文别名: N-[4-[3,5-bis[4-[(C-hydroxy-N-octylcarbonimidoyl)amino]phenoxy]phenoxy]phenyl]-N'-octylcarbamimidic acid
• CAS: 1167992-25-7
• 化学式: C₅₁H₇₂N₆O₆
• 分子量: 865.169
• InChiKey: FVVOUKADDJXBJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  63
• 可旋转键数：
  30
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  151
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  间苯三酚 在 palladium on carbon 氢气 、 potassium carbonate 作用下， 以 乙酸乙酯 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 85.0h， 生成 1,3,5-tris(4-(3-octylureido)phenoxy)benzene
  参考文献：
  名称：

  EP2332906

  摘要：

  公开号：

文献信息

• Chloroalkane Gel Formations by Tris-urea Low Molecular Weight Gelator under Various Conditions
  作者：Masamichi Yamanaka、Hiromitsu Fujii

  DOI：10.1021/jo900894q

  日期：2009.8.7

  C-3-symmetrical tris-urea low molecular Weight gelator 1 was synthesized in three steps from phloroglucin. The gelation ability of 1 in four chloroalkanes, i.e., CH2Cl2, CHCl3, 1,1,2-trichloroethane, and 1,1,2,2-tetrachloroethane, was investigated under various conditions. Thermal treatment was effective in gelating 1,1,2-trichloroethane. In the presence of equimolar 1 and CuBr2, 1,1,2-trichloroethane and 1,1,2,2-tetrachloroethane formed gels. Mixtures of I and CHCl3 or 1,1,2, 2-tetrachloroethane gave gets after ultrasound irradiation. CH2Cl2 changed into a gel in the presence of equimolar 1 and BiCl3 after sonication. Spherical particles with rough surfaces were found by SEM observation of CHCl3 gel prepared from ultrasound irradiation of 1 and Y(NO3)(3).
• UREA COMPOUND, SELF-ASSEMBLY OF UREA COMPOUNDS, ORGANOGEL CONTAINING SELF-ASSEMBLY, AND METHOD FOR PRODUCING ORGANOGEL
  申请人：Yamanaka Masamichi

  公开号：US20110198534A1

  公开（公告）日：2011-08-18

  A urea compound of the present invention is represented by general formula (1) shown below. [Each of X 1 , X 2 and X 3 independently represents a hydrogen atom, an alkyl group or an aryl group. The aryl group may have one or more functional groups selected from the group consisting of halogen groups, alkyl groups and alkoxy groups.]
• EP2332906
  申请人：——

  公开号：——

  公开（公告）日：——