5-nitro-25,26,27,28-tetrahydroxycalix[4]arene | 156024-58-7

• 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
• 英文名称: 5-nitro-25,26,27,28-tetrahydroxycalix[4]arene
• 英文别名: 5-Nitropentacyclo[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: 156024-58-7
• 化学式: C₂₈H₂₃NO₆
• 分子量: 469.494
• InChiKey: LLFBBHCXBVAHBJ-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  654.3±55.0 °C(predicted)
• 密度：
  1.390±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  35
• 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：
  127
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-nitro-25,26,27,28-tetrahydroxycalix[4]arene 在 三乙胺 、 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 、 丙酮 为溶剂， 反应 21.0h， 生成 5-acrylamido-25,26,27,28-tetrahydroxycalix[4]arene
  参考文献：
  名称：

  Li, Lei; Lv, Ping; Xian, Chunying, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 9, p. 2118 - 2122

  摘要：

  DOI：
• 作为产物：
  描述：

  5-nitro-25-hydroxy-26,27,28-tribenzoyloxycalix[4]arene 在 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 17.0h， 以56%的产率得到5-nitro-25,26,27,28-tetrahydroxycalix[4]arene
  参考文献：
  名称：

  锥或部分锥中单硝基杯[4]芳烃的构型选择性合成

  摘要：

  使用不同的合成路线选择性地制备了锥形和部分锥形构象的硝基取代杯芳烃。杯[4]芳烃或杯[6]芳烃的三或五取代苯酚的选择性硝化提供了单硝基杯[ n ]芳烃（n  =  4，6）。随后将乙二醇（EG）部分添加到单硝基杯[4]芳烃中，得到呈锁定部分圆锥构象的四乙二醇基杯[4]芳烃。通过另一种方法-在未衍生化的杯[4]芳烃中首先添加EG部分，然后进行不受控制的硝化-将单硝基和二硝基四乙二醇基杯[4]芳烃锁定在锥中构象。这些具有锁定的圆锥或部分圆锥构象的硝基杯[4]芳烃是有用的构件，用于进一步组装超分子系统，特别是在材料科学领域。

  DOI：

  10.1002/hlca.201600391

文献信息

• Synthesis of New Trisulfonated Calix[4]arenes Functionalized at the Upper Rim, and Their Complexation with the Trimethyllysine Epigenetic Mark
  作者：Kevin D. Daze、Manuel C. F. Ma、Florent Pineux、Fraser Hof

  DOI：10.1021/ol300243b

  日期：2012.3.16

  to produce a new family of trisulfonated calix[4]arenes bearing a single group, selectively introduced, that lines the binding pocket is reported. Ten examples, including new sulfonamide and biphenyl-substituted hosts, each with additional binding elements, demonstrate the tuning of guest affinities and selectivities. NMR titrations in phosphate-buffered water show that one of the new hosts binds to

  据报道，合成路线可生产新的三磺化杯芳烃[4]芳烃家族，该芳烃带有一个选择性引入的单一基团，该基团位于结合口袋中。十个实例，包括新的磺酰胺和联苯取代的主体，每个主体都具有其他结合元素，证明了客体亲和力和选择性的调整。在磷酸盐缓冲水中的NMR滴定表明，新宿主之一以迄今观察到的最高亲和力和选择性结合到修饰的氨基酸三甲基赖氨酸上。
• Calix[4]arene derivative functionalized lanthanide (Eu, Tb) SBA-15 mesoporous hybrids with covalent bonds: assembly, characterization and photoluminescence
  作者：Ya-Juan Li、Bing Yan、Li Wang

  DOI：10.1039/c1dt10190k

  日期：——

  of the resulting lanthanide mesoporous hybrids. The photoluminescent behavior (luminescence, lifetime, quantum efficiency, and energy transfer) for these chemically bonded mesoporous hybrids is studied in detail. Also, their quantum efficiencies are determined, which indicates that the different mesoporous hybrid material systems derived from different functionalized calix[4]arene derivative bridges

  通过共缩合合成三种新型的功能化SBA-15型大孔杯杯[4]芳烃衍生物（Calix-S15，Calix-NO 2 -S15和Calix-NH 2 -S15）。四乙氧基硅烷（TEOS）和改性有机配体（Calix-Si，Calix-NO 2 -Si和Calix-NH 2 -Si）在Pluronic P123表面活性剂作为模板存在的情况下。通过FTIR光谱，29 Si MAS NMR光谱，XRD图谱和N 2吸附-脱附测量证实了这三种母体材料的结构保存。包含共价连接到功能化有序介孔SBA-15上的Ln 3+（Eu 3+，Tb 3+）配合物的三元介孔发光杂种，分别称为Ln（Calix-S15）phen，Ln（Calix-NO 2 -S15 ）phen和Ln（Calix-NH 2-S15）phen是通过共价键组装法将镧系元素离子和1,10-菲咯啉引入相应的母体材料而制得的。利用XRD图谱，TEM和N 2
• 2‐Methoxyethyl Nitrite as a Reagent for Chemoselective On‐Water Nitration
  作者：Taku Kitanosono、Airu Hashidoko、Yasuhiro Yamashita、Shū Kobayashi

  DOI：10.1002/asia.202200457

  日期：2022.8.15

  An on-water approach has been developed that allows a chemoselective nitration of tyrosines and phenols. The enticing roles of water in the reaction process introduce new avenues to explore in the design of synthetic organic chemistry systems.

  已经开发了一种允许对酪氨酸和酚进行化学选择性硝化的水上方法。水在反应过程中的诱人作用为合成有机化学系统的设计提供了新的探索途径。
• Resolution of the Acid-base Fraction Curves of the Calixarene Derivatives with Chemometric Methods
  作者：Li Wang、Zhong-Liang Zhu、Xian-Fa Shi

  DOI：10.1246/cl.2004.182

  日期：2004.2

  The acid-base properties of several new calix[4]arene derivatives were studied with chemometric methods by measurement of their UV absorbances under different pH. Resolving the acid-base fraction curves with chemometric methods, the pKa of these derivatives were determined and the fraction curves and pure absorbing spectra of each absorbing component in the calixarene system were obtained. The proton dissociation behavior of these derivatives was also discussed in this paper.

  通过测量不同pH值下的紫外吸收率，采用化学计量学方法研究了多种新型杯[4]芳烃衍生物的酸碱性质。通过化学计量学方法解析酸碱分数曲线，确定了这些衍生物的pKa，并获得了杯芳烃体系内每个吸收成分的分数曲线和纯吸收光谱。本文还讨论了这些衍生物的质子解离行为。
• COMPOUNDS AND CONJUGATES FOR IDENTIFYING AND SEPARATING POST-TRANSLATIONALLY MODIFIED ANALYTES
  申请人：UVic Industry Partnerships Inc.

  公开号：US20170052154A1

  公开（公告）日：2017-02-23

  Disclosed herein are embodiments of compounds, conjugates, and devices, such as columns comprising such compounds and/or conjugates, that can be used to identify, separate, and quantify post-translationally modified analytes. The disclosed compounds and conjugates can be used to discriminate between analytes, such as peptides, having different post-translation modifications, such as methylations, phosphorylations, acetylations, citrullinations, hydroxylations, nitrosylations, ADP-ribosylations, glycosylations, propionylations, butyrylations, crotonylations, 2-hydroxyisobutyrylations, malonylations, succinylations, formylations, ubiquitinations, neddylations, proline cis-trans isomerizations. In particular disclosed embodiments, the compounds and conjugates can be used to separate peptides having different degrees of methylation.