5,11,17,23-四硝基五环[19.3.1.13,7.19,13.115,19]二十八-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-十二烯-25,26,27,28-四醇 | 109051-62-9

• 物质功能分类: 材料化学 - 配体
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 5,11,17,23-四硝基五环[19.3.1.13,7.19,13.115,19]二十八-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-十二烯-25,26,27,28-四醇
• 中文别名: 对-硝基杯[4]芳烃
• 英文名称: p-nitrocalix(4)arene
• 英文别名: Tetranitrocalix[4]arene；5,11,17,23-tetranitropentacyclo[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-dodecaene-25,26,27,28-tetrol
• CAS: 109051-62-9
• 化学式: C₂₈H₂₀N₄O₁₂
• 分子量: 604.486
• InChiKey: FEWUPZXDXAWOFQ-UHFFFAOYSA-N

物化性质

• 熔点：
  140-142 °C
• 沸点：
  816.1±65.0 °C(Predicted)
• 密度：
  1.619±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  264
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  5,11,17,23-四硝基五环[19.3.1.13,7.19,13.115,19]二十八-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-十二烯-25,26,27,28-四醇 在 iron(III) chloride on activated carbon 、 二氮烯 作用下， 反应 2.0h， 生成 5,11,17,23-tetraamino-25,26,27,28-tetramethoxycalix[4]arene
  参考文献：
  名称：

  Calixarene-catalyzed basic hydrolysis of p-nitrophenyl dodecanoate: a possible change in the mechanism from deshielding to host-guest

  摘要：

  DOI：

  10.1021/ja00196a070
• 作为产物：
  描述：

  tetra-p-bromomethylcalix[4]arene 在 silver nitrate 作用下， 生成 5,11,17,23-四硝基五环[19.3.1.13,7.19,13.115,19]二十八-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-十二烯-25,26,27,28-四醇
  参考文献：
  名称：

  New Synthetic Method ofp-Nitrocalixarenes

  摘要：

  Calixarenes 1 were directly nitrated with potassium nitrate and aluminum chloride to give p-nitrocalixarenes 2 in good yields. Formation of p-nitrocalix[4]arene (2a) from reaction of p-bromomethylcalix[4]arene (3) with silver nitrate is also described.

  DOI：

  10.1080/00397919708007300

文献信息

• Novel dansyl-appended calix[4]arene frameworks: fluorescence properties and mercury sensing
  作者：Shubha Pandey、Amir Azam、Siddharth Pandey、H. M. Chawla

  DOI：10.1039/b815379e

  日期：——

  Covalently-attached fluorophores may impart enhanced chemosensing capabilities to calixarene frameworks. Synthesis and characterization of six novel dansyl-appended calix[4]arenes, namely, H/Dan4, NO2/Dan4, H/(OH)2Dan2, H/(Ester)2(Dan)2, t-Bu/(OH)2Dan2, and t-Bu/(Ester)2Dan2, containing two or four dansyl moieties are reported. Among these, fluorescence intensity of NO2/Dan4 is observed to decrease

  共价连接的荧光团可以赋予杯芳烃骨架增强的化学传感能力。六种新的丹酰芳烃杯[4]芳烃的合成与表征，即H / Dan 4，NO 2 / Dan 4，H / （OH）2 Dan 2，H / （Ester）2（Dan）2，t- Bu / （OH）2 Dan 2和t-Bu / （Ester）2 Dan 2据报道，其含有两个或四个丹磺酰基部分。其中，在溶液中存在Hg 2+的情况下，观察到NO 2 / Dan 4的荧光强度显着降低。基于荧光的降低，Hg 2+的检出限为20 ppb。NO 2 / Dan 4作为Hg 2+的化学传感剂显示出优异的选择性和足够的可逆性。使用荧光光谱法研究了NO 2 / Dan 4与Hg 2+的络合，观察结果为2：1。（NO的形成常数2 / Dan 4） 2 Hg 2+在环境条件下估计为5.2（±0.8）×10 10 M -2。这些观察结果可归因于以下事实：虽然所有其他丹磺酰基
• Novel Iminecalixarene Derivatives and Aminocalixarene Derivatives, Method of Preparation Thereof, and Self-Assembled Monolayer Prepared by the Method, Fixing Method of Oligo-Dna By Using the Self-Assembled Monolayer, and Oligo-Dna Chip Prepared By the Method
  申请人：Kim Tae Sun

  公开号：US20080305477A1

  公开（公告）日：2008-12-11

  The present invention relates to novel iminecalixarene derivatives, method of preparation thereof, and self-assembled monolayer prepared by the method, fixing method of oligo-DNA by using the self-assembled monolayer, and oligo-DNA chip prepared by the method. Also, the present invention relates to novel aminocalixarene derivatives, method of preparation thereof, and self-assembled monolayer prepared by the method, fixing method of oligo-DNA wherein the oligo-DNA is voluntarily fixed by molecular recognition on said self-assembled monolayer in a liquid phase, and oligo-DNA chip prepared by the method.

  本发明涉及新型亚胺卡立克沙林衍生物，其制备方法以及由该方法制备的自组装单分子膜，利用自组装单分子膜固定寡核酸的方法，以及由该方法制备的寡核酸芯片。此外，本发明涉及新型氨基卡立克沙林衍生物，其制备方法以及由该方法制备的自组装单分子膜，通过分子识别在液相中自愿固定寡核酸的方法，以及由该方法制备的寡核酸芯片。
• Redox-Responsive Covalent Organic Nanosheets from Viologens and Calix[4]arene for Iodine and Toxic Dye Capture
  作者：Tina Skorjanc、Dinesh Shetty、Sudhir Kumar Sharma、Jesus Raya、Hassan Traboulsi、Dong Suk Han、Jayesh Lalla、Ryan Newlon、Ramesh Jagannathan、Serdal Kirmizialtin、John-Carl Olsen、Ali Trabolsi

  DOI：10.1002/chem.201800623

  日期：2018.6.18

  molecular switch and an organic macrocycle, calix[4]arene. The COPs form nanosheets that have height profiles of 6.00 nm and 8.00 nm, respectively, based on AFM measurements. The sheets remain morphologically intact upon one‐ or two‐electron reductions of their viologen subunits. MD simulations of the COPs containing dicationic viologens indicate that the calix[4]arenes adopt a partial cone conformation and

  由于它们的化学和热稳定性，高吸收能力和易于回收利用，共价有机聚合物（COP）已显示出作为污染海绵的希望。在这里，我们描述了使用重氮偶合来合成两个阳离子COP，COP1 ++和COP2 ++，其中包含基于紫精的分子开关和有机大环杯[4]芳烃。根据AFM测量，COP形成的纳米片的高度轮廓分别为6.00 nm和8.00 nm。薄板在其紫精亚基被一或两个电子还原后仍保持形态完整。MD对含有指示性紫精的COP的模拟表明，杯[4]芳烃采用部分圆锥构象，并且在高度上，单个2D聚合物层在COP1 ++中为5.48Å，在COP2 ++中为5.65Å，与原子力显微镜的测量结果一起，表明纳米片分别由11层和14层组成。不管它们的紫精是阳离子型，自由基型还是中性型，这些COP均对碘具有很高的亲和力，当暴露于70°C的碘蒸气中时，其质量增加高达200％，这使得该材料成为性能最佳的纳米片。文献报道碘捕获。此外，COP
• Direct Synthesis P-Nitrocalix[4]arene from P-<i>tert</i>-Butylcalix[4]arene
  作者：Ping-Shan Wang、Rui-Sen Lin、Han-Xing Zong

  DOI：10.1080/00397919908086221

  日期：1999.7

  Abstract Calix[4]arene 2 can be directly prepared from p-t-butylcalix[4]arene 1 by concentrated nitric acid or using potassium nitrate and aluminium chloride as a nitrating agent. Product is easily isolated in excellent yield.

  摘要 杯[4]芳烃2可由对丁基杯[4]芳烃1以浓硝酸或以硝酸钾和氯化铝为硝化剂直接制得。产品很容易以优异的产率分离。
• An efficient p-tetranitrocalix[4]arene based adsorbent for the removal of carbofuran from aqueous media
  作者：Shahabuddin Memon、Sibghatullah Memon、Najma Memon

  DOI：10.1007/s13738-014-0432-8

  日期：2014.12

  Present study describes the adsorption of carbofuran (CF) from aqueous solutions using p-tetranitrocalix[4]arene based modified silica through batch and column methods. Various parameters were optimized including initial pesticide concentrations (5 mg L−1), pH (2–10), contact time (60 min) and adsorbent dosage (30 mg). Modified silica was characterized by FT-IR and scanning electron microscope. The adsorption was further explained by Langmuir, Freundlich and Dubinin–Radushkevich (D–R) models. Moreover, adsorption kinetics and adsorption thermodynamics were also investigated. Adsorption in dynamic mode was evaluated by breakthrough volumes and the Thomas model, applying batch conditions using 30 mg of modified silica at pH 5. It has been noticed that CF removal efficiency of modified silica was 98 % as compared to bare silica (48 %). Adsorption of CF on modified silica was found to be multilayer and physical in nature. Consequently, adsorption obeys pseudo-second-order kinetic equation following external mass transfer diffusion process as the rate-limiting step. Thermodynamic parameter (ΔG, ΔS, ΔH) values suggest that the adsorption of CF is spontaneous and exothermic in nature. Thomas model rate constant k TH (cm3 mg−1 min−1) and maximum solid phase concentration (q o mg g−1) was found to be 0.52 and 12.3, respectively, in dynamic mode.

  本研究通过分批法和柱法，描述了使用对四硝基杯[4]芳烃基改性二氧化硅从水溶液中吸附呋喃（CF）的过程。优化了各种参数，包括初始农药浓度（5 mg L−1）、pH值（2–10）、接触时间（60 min）和吸附剂用量（30 mg）。通过FT-IR和扫描电子显微镜对改性二氧化硅进行了表征。通过Langmuir、Freundlich和Dubinin–Radushkevich（D–R）模型进一步解释了吸附过程。此外，还研究了吸附动力学和吸附热力学。通过突破体积和Thomas模型评估了动态吸附，在pH值为5时，使用30 mg改性二氧化硅，应用分批条件。与未改性二氧化硅（48 %）相比，改性二氧化硅的CF去除效率为98 %。研究发现，CF在改性二氧化硅上的吸附是多层的，并且是物理性质的。因此，吸附服从伪二级