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| 169057-20-9

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
169057-20-9
化学式
C46H52O4
mdl
——
分子量
668.916
InChiKey
JGBXJBCTHANRRT-XGEXKBAQSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    10.64
  • 重原子数:
    50.0
  • 可旋转键数:
    0.0
  • 环数:
    9.0
  • sp3杂化的碳原子比例:
    0.48
  • 拓扑面积:
    80.92
  • 氢给体数:
    4.0
  • 氢受体数:
    4.0

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    乙醇sodium 、 sodium hydride 作用下, 以 四氢呋喃N,N-二甲基甲酰胺 为溶剂, 反应 16.0h, 生成 2,6,19,23-tetrakis(methoxymethoxy)heptacyclo[22.10.4.47,18.13,33.15,9.116,20.122,26]hexatetraconta-1,3(39),5(46),6,8,16,18,20(41),22(40),23,25,33-dodecaene
    参考文献:
    名称:
    Synthesis and characterization of calixarene analogs locked in the cone conformation by the dimerization of syn-dihydroxymetacyclophanes as a building block
    摘要:
    syn-Dihydroxymetacyclophanes were converted to bridged calix[4]arene analogs by base-catalyzed condensation with formaldehyde. A remarkable template effect was observed on this condensation. Enlarged calix[4]arene analogs were synthesized by two different methods. All calix[4]arene analogs took the cone-type conformation and kept it even at high temperatures, according to the elucidation by H-1 NMR spectroscopy. The acidities (pKapp) of calix[4]arene analogs, which partially form the hydrogen bonding, were medium values in the range of 5.1-5.5. Calix[4]arene analogs can transport Li+ ion considerably and show the selectivity for Li+ over Na+ ions 15 and 30 in the weak basic and neutral solutions, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0040-4020(00)01127-3
  • 作为产物:
    描述:
    聚合甲醛10,16-dihydroxy<213,14><6.2>metacyclophanecesium hydroxide 作用下, 以 二乙二醇二甲醚 为溶剂, 反应 12.0h, 以78%的产率得到
    参考文献:
    名称:
    Synthesis and characterization of calixarene analogs locked in the cone conformation by the dimerization of syn-dihydroxymetacyclophanes as a building block
    摘要:
    syn-Dihydroxymetacyclophanes were converted to bridged calix[4]arene analogs by base-catalyzed condensation with formaldehyde. A remarkable template effect was observed on this condensation. Enlarged calix[4]arene analogs were synthesized by two different methods. All calix[4]arene analogs took the cone-type conformation and kept it even at high temperatures, according to the elucidation by H-1 NMR spectroscopy. The acidities (pKapp) of calix[4]arene analogs, which partially form the hydrogen bonding, were medium values in the range of 5.1-5.5. Calix[4]arene analogs can transport Li+ ion considerably and show the selectivity for Li+ over Na+ ions 15 and 30 in the weak basic and neutral solutions, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0040-4020(00)01127-3
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