hexa-p-tert-butyl<1⁶>metacyclophane | 120722-14-7

• 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: hexa-p-tert-butyl<1⁶>metacyclophane
• 英文别名: <1⁶>-p-tert-butylmetacyclophane；p-tert-Butylcalix<6>arene；t-Butylcalix[6]arene；5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
• CAS: 120722-14-7
• 化学式: C₆₆H₈₄
• 分子量: 877.393
• InChiKey: SIQUHLPTYOYEJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.6
• 重原子数：
  66
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  hexa-p-tert-butyl<1⁶>metacyclophane 在 sodium dichromate 、 溶剂黄146 作用下， 以31%的产率得到5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene-2,8,14,20,26,32-hexone
  参考文献：
  名称：

  Matsuda, Kenji; Nakamura, Nobuo; Takahashi, Kazuyuki, Journal of the American Chemical Society, 1995, vol. 117, # 20, p. 5550 - 5560

  摘要：

  DOI：
• 作为产物：
  描述：

  37,38,39,40,41,42-hexakis<(diethoxyphosphoryl)oxy>-5,11,17,23,29,35-hexakis(1,1-dimethylethyl)calix<6>arene 在 氨 、 氢化钾 作用下， 以 乙醚 为溶剂， 反应 0.33h， 以33%的产率得到hexa-p-tert-butyl<1⁶>metacyclophane
  参考文献：
  名称：

  完全OH-耗尽的合成p -叔丁基杯[6]芳烃

  摘要：

  CIP的（O）（OET）的反应2与p -叔丁基杯[6]芳烃提供其完全磷酸化的类似物2加上一个五酯化物种3轴承一个桥接磷酸酯。2与K / NH 3的反应得到相应的[1 6 ]甲基环已烷1。

  DOI：

  10.1016/0040-4039(94)88267-3

文献信息

• Catalytic ability of a flexible octopus-type calix[6]arene in ester-forming reactions and its structural properties
  作者：Eisaku Nomura、Hisaji Taniguchi、Kouichi Kawaguchi、Yoshio Otsuji

  DOI：10.1021/jo00069a039

  日期：1993.8

  The ester-forming reaction of alkali metal carboxylates with alkyl halides was catalyzed by the octopus-type calix[6]arene 1 which bears six 3,6,9-trioxadecyl substituents at the phenolic oxygens. The catalytic ability of 1 was significantly large in CH2Cl2 and CH3CN but negligible in less polar solvents such as benzene and dioxane. The catalytic ability is also affected by the amount of water present in the reaction system. A similar solvent effect was found in the alkali metal cation extraction by 1 from aqueous solutions to organic solvents. The conformation and structural mobility of 1 in organic solvents were studied by H-1 NMR spectroscopy at varying temperatures. Compound 1 had a 1,4-anti conformation (see Figure 4) both in CD2Cl2 and C6D6, but the orientation of the substituents on the aromatic rings of 1 varied with temperature. The reactivity features of 1 are discussed on the basis of its structural properties.
• TANIGUCHI, HISAJI;NOMURA, EISAKU, CHEM. LETT.,(1988) N 10, C. 1773-1776
  作者：TANIGUCHI, HISAJI、NOMURA, EISAKU

  DOI：——

  日期：——