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4,12,18,26,31,34-Hexaoxa-1,15,37,38-tetraazatetracyclo<13.13.81,15.16,10.120,24>octatriaconta-6(37),7,9,20(38),21,23-hexaene | 144084-63-9

中文名称
——
中文别名
——
英文名称
4,12,18,26,31,34-Hexaoxa-1,15,37,38-tetraazatetracyclo<13.13.81,15.16,10.120,24>octatriaconta-6(37),7,9,20(38),21,23-hexaene
英文别名
4,12,18,26,31,34-Hexaoxa-1,15,37,38-tetraazatetracyclo[13.13.81,15.16,10.120,24]octatriaconta-6(37),7,9,20(38),21,23-hexaene;4,12,18,26,31,34-Hexaoxa-1,15,37,38-tetrazatetracyclo[13.13.8.16,10.120,24]octatriaconta-6(38),7,9,20,22,24(37)-hexaene
4,12,18,26,31,34-Hexaoxa-1,15,37,38-tetraazatetracyclo<13.13.8<sup>1,15</sup>.1<sup>6,10</sup>.1<sup>20,24</sup>>octatriaconta-6(37),7,9,20(38),21,23-hexaene化学式
CAS
144084-63-9
化学式
C28H42N4O6
mdl
——
分子量
530.665
InChiKey
QTZDSPIALYEHFG-UHFFFAOYSA-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

物化性质

  • 沸点:
    690.4±50.0 °C(Predicted)
  • 密度:
    1.20±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    -0.4
  • 重原子数:
    38
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.64
  • 拓扑面积:
    87.6
  • 氢给体数:
    0
  • 氢受体数:
    10

反应信息

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文献信息

  • A novel two-step method to prepare new unsymmetrical cryptands
    作者:Jerald S. Bradshaw、Krzysztof E. Krakowiak、Haoyun An、Tingmin Wang、Chengyue Zhu、Reed M. Izatt
    DOI:10.1016/s0040-4039(00)61220-0
    日期:1992.8
    A novel two-step method to prepare unsymmetrical cryptands from available diethanolamine, oligoethylene glycol dichloride and other dihalides is reported. A new cryptand with two bridges each containing one methylene unit exhibited a sodium over potassium selectivity of more than 1,000.
  • Synthesis and complexation properties of new unsymmetrical cryptands
    作者:Jerald S. Bradshaw、Haoyun An、Krzysztof E. Krakowiak、Tingmin Wang、Chengyue Zhu、Reed M. Izatt
    DOI:10.1021/jo00049a013
    日期:1992.11
    Twelve novel unsymmetrical cryptands (1-12) containing various units (methylene, 2-methylenylpropylene, pyridine-2,6-diyldimethylene, o- and m-xylylene) each in two bridges have been synthesized by a one-step cyclization procedure. These cryptands were obtained by treating tetraalcohols 15-17, obtained from diethanolamine and diglycolyl dichloride followed by reduction or from diethanolamine and the appropriate oligoethylene glycol dichloride or ditosylate, with methylene chloride, 3-chloro-2-(chloromethyl)-l-propene, alpha,alpha'-dibromo-o-xylene, alpha,alpha'-dibromo-m-xylene, and 2,6-pyridinediyldimethyl ditosylate. Cryptancls 7 and 11, containing two acetal functions, were obtained in yields of 59 and 40%, respectively. Bis(2-methylenepropylene)-bridged cryptand 4 was independently synthesized by another method. Complexation properties of nearly all of these cryptands with the alkali metal cations were studied by an NMR technique. Some of the results were verified by a calorimetric titration technique. Cryptands 5 and 9, containing a 2,6-pyridinediyldimethylene unit in two bridges, and 11, containing a methylene unit in two bridges, showed high selectivity for potassium over sodium ions by factors ranging from 40 to 200. Bisacetal-containing cryptand 7 exhibited high selectivity for sodium over potassium ions with a selectivity factor of over 1000.
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