p-tert-butyl-calix[6]-1,4-crown-4 | 247049-50-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: p-tert-butyl-calix[6]-1,4-crown-4
• 英文别名: p-tert-butylcalix[6]-1,4-crown-4；1,4-p-tert-butylcalix[6]crown-4；5,11,17,23,29,35-Hexatert-butyl-38,41,44,47-tetraoxaoctacyclo[17.17.12.13,7.19,13.121,25.127,31.015,48.033,37]dopentaconta-1(36),3,5,7(52),9(51),10,12,15,17,19(48),21,23,25(50),27(49),28,30,33(37),34-octadecaene-49,50,51,52-tetrol
• CAS: 247049-50-9
• 化学式: C₇₂H₉₄O₈
• 分子量: 1087.53
• InChiKey: HGQANOIUBBOCOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.6
• 重原子数：
  80
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  118
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (1,2-次苯基双(氧基))双(乙烷-2,1-二基)双(4-甲苯磺酸酯) 、 p-tert-butyl-calix[6]-1,4-crown-4 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以60%的产率得到p-tert-butylcalix[6]-1,4-crown-2,5-benzocrown-4
  参考文献：
  名称：

  新型杯[6]双冠和相关化合物的合成

  摘要：

  小说类型的合成p -叔-butylcalix [6]中描述了双-牙冠和相关化合物。通过使p -叔-butylcalix [6] -1,4-冠-4使用的NaH的DMF基，乙二醇二甲苯磺酸酯或聚乙二醇ditosylates p -叔-butylcalix [6] -2,3-乙烯-1- ，4冠-4，p -叔-butylcalix [6] -1,4-冠4-2,6冠3，monotosyloxyethoxyethyl- p -叔-butylcalix [6] -1,4-冠-4 ，p -叔-butylcalix [6] -1,4-冠4-2,5-苯并冠-4和p -叔在选择条件下，以合理的收率获得了丁基丁基杯[6] -1,4-crown-4-2,6-crown-5。

  DOI：

  10.1039/b007408j
• 作为产物：
  描述：

  4-叔丁基杯[6]芳烃 、 三乙二醇二(对甲苯磺酸酯) 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以40%的产率得到p-tert-butyl-calix[6]-1,4-crown-4
  参考文献：
  名称：

  Synthesis and Characterization ofp-tert-Butylcalix[6]-1,4-crown-4-2,6-crown-5,p-tert-Butylcalix[6]-1,4-benzocrown-4-2,3-crown-5

  摘要：

  两种新型杯[6]-双冠，对叔丁基杯[6]-1,4-冠-4-2,6-冠-5和对叔丁基杯[6]-1,4 -苯并冠-4-2,3-冠-5，已被合成并表征。对叔丁基杯[6]-1,4-冠-4-2,6-冠-5的构象可以是(u,d,d,u,d,d)或(u,d,u, u,u,d)，并且不能进一步指定，后者在室温下采用(u,u,u,u,u,u)构象。

  DOI：

  10.1246/cl.2000.1208

文献信息

• Synthesis of doubly bridged p-tert-butyl-calix[6]arene containing hard and soft ion binding sites
  作者：Yikun Chen、Yuanyin Chen

  DOI：10.1016/s0040-4039(00)01646-4

  日期：2000.11

  A conformationally preorganized, Cs-symmetrical p-tert-butyl-calix[6]-1,4-crown-4-2,6-dioxo-diazacrown-4 with hard and soft ion binding sites at the lower rim is synthesized. The binding sites may complex alkali metal ions or transition metal ions selectively.

  构象预组织，Ç小号-symmetrical p -叔丁基杯[6] -1,4-冠4-2,6二氧代二氮冠-4与下轮辋硬和软离子结合位点被合成。结合位点可以选择性地络合碱金属离子或过渡金属离子。
• Selective bridging of p-tert-butylcalix[6]arene with polyethylene glycol ditosylates
  作者：Jiansen Li、Yuanyin Chen、Xueran Lu

  DOI：10.1016/s0040-4020(99)00578-5

  日期：1999.8

  A convenient method for preparing various p-tert-butylcalix[6]crowns and related compounds has been developed. By refluxing p-tert-butylcalix[6]arene with ethylene glycol ditosylate or polyethylene glycol ditosylates using K2CO3 as a base in acetonitrile, 1,2-ethylenecalix[6]arene, 1,3- and 1,4-calix[6]crown-3, 1,3- and 1,4-calix[6]crown-4, 1,4-calix[6]benzocrown-4, 1,2- and 1,3-calix[6]crown-5 were obtained selectively. A rather flattened (o, o, o, o, o, o) conformation, adopted by the constrained 1,4-calix[6]crown-3 at ambient temperature, was observed for the first time. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Selective Binding of Aromatic Amines by Self-Assembled Monolayers of a Calix[6]crown-4 Derivative
  作者：Sheng Zhang、Luis Echegoyen

  DOI：10.1021/ol049957n

  日期：2004.3.1

  A p-tert-butylcalix[6]crown-4 derivative immobilized on gold surfaces via self-assembly, endowed with a rigid cavity, can serve as a remarkably efficient sensor for aniline compared to alkylamines. The stability of the inclusion complex is attributed to the size fit and to the multipoint recognition motifs between the host monolayer and the guest aniline.
• Molecular design and synthesis of a calix[6]crown-based lithium-selective ionophore
  作者：Yuanyin Chen、Fafu Yang、Shuling Gong

  DOI：10.1016/s0040-4039(00)00729-2

  日期：2000.6

  Several 1,4-bridged calix[6]arene tetraesters were prepared from 1,4-p-tert-calix[6]crown-4's by etherifying with ethyl bromoacetate. It was found that the 1,4-p-tert-calix[6]crown-4 tetraethylester (3a) and the 1,4-p-tert-calix[6]benzocrown-4 tetramethylester (4b) exhibit very high selectivity toward lithium and sodium ions, respectively. The ion selectivity is very sensitive to the structure of polyoxyethylene spacer and the R in the ester moiety. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Synthesis of p-tert-butylcalix[6]-1,4-2,5-bis-crowns
  作者：Yuanyin Chen、Fafu Yang、Xueran Lu

  DOI：10.1016/s0040-4039(99)02332-1

  日期：2000.3

  The synthesis and complexation properties of the first example of p-tert-butylcalix[6]-1,4-2,5-bis-crowns are reported. Their complexation abilities and selectivities are different from that of analogous calix[6]crown. Compound 2b exhibits high complexation selectivity towards n-PrNH3+. (C) 2000 Elsevier Science Ltd. All rights reserved.