11,23-Di-tert-butyl-25,27-bis(ethoxycarbonylmethoxy)-26,28-dihydroxy-5,17-dinitrocalix<4>arene | 137571-08-5

• 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: 11,23-Di-tert-butyl-25,27-bis(ethoxycarbonylmethoxy)-26,28-dihydroxy-5,17-dinitrocalix<4>arene
• 英文别名: 5,17-di-tert-butyl-11,23-dinitro-25,27-diethoxycarbonylmethoxycalyx[4]arene；2,2'-<<5,17-Bis(1,1-dimethylethyl)-25,27-dihydroxy-11,23-dinitrocalix<4>arene-26,28-diyl>bis(oxy)>bis(acetic acid) diethyl ester；5,17-di-tert-butyl-11,23-dinitro-25,27-bis(ethoxycarbonylmethoxy)-26,28-dihydroxycalix[4]arene；Ethyl 2-[[11,23-ditert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-dihydroxy-5,17-dinitro-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
• CAS: 137571-08-5
• 化学式: C₄₄H₅₀N₂O₁₂
• 分子量: 798.887
• InChiKey: HAFNBIYTAPSPOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  58
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  203
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  11,23-Di-tert-butyl-25,27-bis(ethoxycarbonylmethoxy)-26,28-dihydroxy-5,17-dinitrocalix<4>arene 在 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 、 tin(ll) chloride 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 27.0h， 生成 5,17-di-tert-butyl-11,23-bis[(4'-methyl-2,2'-bipyridin-4-yl)carbonylamino]-25,27-bis(ethoxycarbonylmethoxy)calix[4]arene
  参考文献：
  名称：

  Wide- and narrow-rim functionalised calix[4]arenes: synthesis and characterisation

  摘要：

  Functionalisation of calix[4]arene at both the wide and narrow rims leads to the formation of compounds containing bipyridyl, via an amide linkage, at the wide rim and having either a butyl chain, a benzyl group or an alkyl ester functionality at the narrow rim. All compounds were characterised using H-1 and C-13 NMR spectroscopies. Initial binding studies with Ru(bipy)(2)Cl-2 are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.096
• 作为产物：
  描述：

  5,11,17,23-tetra-tert-butyl-25,27-di(ethoxycarbonylmethoxy)-26,28-dihydroxycalix[4]arene 在 硝酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 以21%的产率得到11,23-Di-tert-butyl-25,27-bis(ethoxycarbonylmethoxy)-26,28-dihydroxy-5,17-dinitrocalix<4>arene
  参考文献：
  名称：

  两种含铜和锂离子的杯杯[4]芳烃的Langmuir和Langmuir-Blodgett膜之间的相互作用

  摘要：

  铜（Cu 2+）和锂（Li +）离子与Langmuir单层膜和Langmuir-Blodgett（LB）多层膜之间的结合相互作用已通过研究表面压力-面积（Π- A）等温线和表面电位-面积（ Δ V -甲），以便找到有效偶极矩的行为，μ ⊥，在未复合的和络合的状态下的杯芳烃分子。两个杯[4]芳烃的取向，即5,11,17,23-四叔丁基-25,27-二乙氧羰基亚甲基氧基-26,28-二羟基杯[4]芳烃和5,17-（9H-芴-2-基）亚甲基氨基）-11,23 -二-叔-丁基-25,27-二乙氧基羰基亚甲氧基-26,28-二羟基杯[4]芳烃是这样的，无论子相的离子含量如何，杯形环的平面均与水表面的平面平行。Gibbs方程用于解释两个杯[4]芳烃对离子的吸附与浓度的关系。有效的偶极矩已使用Helmholtz方程根据表面电势值计算得出。在这项工作中，采用两种带有不同上边缘取代基的新型两亲杯[4]芳烃衍

  DOI：

  10.1021/la100808r

文献信息

• Novel chromogenic pyridinium derivatives of calix[4]arenes, I
  作者：István Bitter、Alajos Grün、Gábor Tóth、Áron Szöll'´osy、Gyula Horváth、Béla Ágai、László T'´oke

  DOI：10.1016/0040-4020(95)00914-0

  日期：1996.1

  5-(1-Pyridinio)-11,17,23-tri-t-butyl-28-hydroxy-25,26,27-trialkoxycalix[4]arene and 5,17-bis(1-pyridinio)-11,23-di-t-butyl-26,28-dihydroxy-25,27-di(ethoxycarbonyl)methoxycalix[4]arene perchlorates have been synthesized. These compounds acted as chromoionophores exhibiting optical responses in organic solvents upon complexation of Li+. Na+ and K+ salts.

  5-（1-吡啶基）-11,17,23-三叔丁基-28-羟基-25,26,27-三烷氧基杯[4]芳烃和5,17-双（1-吡啶基）-11,23已经合成了-二叔丁基-26,28-二羟基-25,27-二（乙氧基羰基）甲氧基杯[4]芳烃高氯酸盐。这些化合物充当生色团，在Li +络合时在有机溶剂中表现出光学响应。Na +和K +盐。
• Ipso nitration of p-tert-butylcalix[4]arenes
  作者：Willem Verboom、Alex Durie、Richard J. M. Egberink、Zouhair Asfari、David N. Reinhoudt

  DOI：10.1021/jo00030a050

  日期：1992.2
• New membrane carrier for glutamic acid based on p-tert-butylcalix[4]arene 1,3-disubstituted at the lower rim
  作者：Ivan I. Stoikov、Maria N. Agafonova、Pavel L. Padnya、Evgeny N. Zaikov、Igor S. Antipin

  DOI：10.1016/j.mencom.2009.05.018

  日期：2009.5

  Calix[4]arenes 1,3-disubstituted at the lower rim were synthesized and their receptor ability toward dicarboxylic, alpha-hydroxy and amino acids was investigated. A new synthetic receptor for glutamic acid based on 1,3-disubstituted calix[4]arene was suggested.
• Selective ipso-nitration of tert-butylcalix[4]arene 1,3-diethers: X-ray structure of an unexpected side product
  作者：Oliver Mogck、Volker Böhmer、George Ferguson、Walter Vogt

  DOI：10.1039/p19960001711

  日期：——

  1,3-Diether derivatives of tert-butylcalix[4] arene can be selectively nitrated at the para-position of the phenolic units, In this way calix[4]arenes bearing tert-butyl and nitro groups at the upper rim in alternating sequence are easily available in yields up to 75%, Ipso-attack may also occur ortho to the phenolic hydroxy group leading in a side reaction to macrocyclic compounds with two 6-nitrocyclohexa-2,4-dienone units. Both types of structures were established by single crystal X-ray analysis.