pentaerythritol tetrakis(benzenesulfonate) | 2514-70-7

• 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: pentaerythritol tetrakis(benzenesulfonate)
• 英文别名: pentaerythritol benzenesulfonate；pentaerythrityl tetrabromide；pentaerythrityl benzenesulfonate；pentaerythritol tetrabenzenesulfonate；2,2-bis(benzenesulfonyloxymethyl)-1,3-propanediol dibenzenesulfonate；1,3-bis-benzenesulfonyloxy-2,2-bis-benzenesulfonyloxymethyl-propane；1,3-Bis-benzolsulfonyloxy-2,2-bis-benzolsulfonyloxymethyl-propan；3-[(Phenylsulfonyl)oxy]-2,2-bis{[(phenylsulfonyl)oxy]methyl}propyl benzenesulfonate；[3-(benzenesulfonyloxy)-2,2-bis(benzenesulfonyloxymethyl)propyl] benzenesulfonate
• CAS: 2514-70-7
• 化学式: C₂₉H₂₈O₁₂S₄
• 分子量: 696.798
• InChiKey: USQQFBRJEIDVBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  45
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  207
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  pentaerythritol tetrakis(benzenesulfonate) 在 吡啶 、 sodium azide 、 三苯基膦 作用下， 以 二甲基亚砜 为溶剂， 反应 48.0h， 生成 季戊四胺四盐酸盐
  参考文献：
  名称：

  四足配体1,1,1,1-四[(水杨醛亚氨基)甲基]甲烷的多金属配位行为

  摘要：

  摘要 四足配体1,1,1,1-四[(水杨醛亚氨基)甲基]甲烷(H 4 tsam)首次被引入用于金属络合。乙酰丙酮锌与配体在三乙胺存在下反应得到了两种锌(II)配合物[Zn 2 (tsam)] (1)和[Zn 3 (Htsam) 2 ]·2C 7 H 8 (2)，同时Co(ClO 4 ) 2 ·6H 2 O在空气中反应得到钴(III)配合物[Co(Htsam)]·CH 3 CN·H 2 O(3)。所有化合物都通过元素分析和 ESI-MS、IR、UV-VIS 和 1 H NMR 光谱进行了表征。已确定H 4 tsam、2 和3 的X 射线晶体结构。化合物 1 和 2 在溶液中显示出荧光，并且已经测量了它们的发光衰减寿命。热分析（TGA，

  DOI：

  10.1016/j.inoche.2010.06.018
• 作为产物：
  描述：

  季戊四醇 、 对甲苯磺酰氯 在 吡啶 作用下， 以 吡啶 为溶剂， 生成 pentaerythritol tetrakis(benzenesulfonate)
  参考文献：
  名称：

  Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand

  摘要：

  Five new homodinuclear lanthanide(III) complexes with a new tetrapodal thenylsalicylamide ligand (L), of formulae [Nd2L2(NO3)(6)(CH3OH)(2)]center dot 2H(2)O center dot 2CH(3)OH (1), and [Ln(2)L(2)(NO3)(6) (CH3OH)(2)]center dot 4CH(3)OH, Ln = Sm (2), Eu (3), Gd (4), Tb (5)) have been synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and molar conductance analysis. The two arms of L ligand arranged in a complementary head to head fashion to bind two lanthanide to form a cage-like coordination dimer with the other two uncoordinated arms constructing interesting three dimensional supramolecular structures. The europium and terbium containing compounds both exhibit luminescence of the referring trivalent lanthanide ions, giving a red luminescence for Eu(III) and a green luminescence for Tb(III) triggered by an efficient antenna effect of the thenylsalicylamide group. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.040

文献信息

• A bright entry to improve the performance of DSSCs with the influence of novel optoelectronic acridinedione based macromolecules in I−/I3− electrolytes
  作者：Govindasami Periyasami、Raju Rajesh、Natarajan Arumugam、Raghavachary Raghunathan、Shanmugam Ganesan、Pichai Maruthamuthu

  DOI：10.1039/c3ta12221b

  日期：——

  The performance of Ru(II) dye-sensitized nanocrystalline TiO2 solar cells (DSSCs) is described with newly synthesized multivalent macromolecules, containing excellent optoelectronic acridinedione linked with 1,2,3-triazole units, via a novel and convenient Cu(I)-catalyzed alkyne and azide 1,3-dipolar cycloaddition (CuAAC) reaction. These unique macromolecules have proved to be highly suitable for utilizing additives in I−/I3− redox couple electrolytes. Among the various substitutions, the maximum photo-current conversion efficiency of about 6.4% with a Voc of 810 mV was obtained with electron rich substitutions in the nitrogen heteroatom.

  新合成的多价大分子含有性能优越的吖啶二酮单元和1,2,3-三氮唑单元，通过一种新型且便捷的铜催化的炔烃和叠氮化物的1,3-偶极环加成反应（CuAAC）连接，被用于描述染料敏化纳米晶TiO2太阳能电池（DSSCs）的性能。这些独特的大分子已被证明非常适合利用在I-/I3-氧化还原电解质中的添加剂。在各种取代基中，具有富电子氮杂原子取代基的体系获得了最高的光电流转换效率约6.4%，开路电压为810 mV。
• Cyclobutane-Derived Diamines: Synthesis and Molecular Structure
  作者：Dmytro S. Radchenko、Sergiy O. Pavlenko、Oleksandr O. Grygorenko、Dmitriy M. Volochnyuk、Svitlana V. Shishkina、Oleg V. Shishkin、Igor V. Komarov

  DOI：10.1021/jo101271h

  日期：2010.9.3

  Cyclobutane diamines (i.e., cis- and trans-1,3-diaminocyclobutane, 6-amino-3-azaspiro[3.3]heptane, and 3,6-diaminospiro[3.3]heptane) are considered as promising sterically constrained diamine building blocks for drug discovery. An approach to the syntheses of their Boc-monoprotected derivatives has been developed aimed at the preparation of multigram amounts of the compounds. These novel synthetic

  环丁烷二胺（即顺式和反式-1,3-二氨基环丁烷，6-氨基-3-氮杂螺[3.3]庚烷和3,6-二氨基螺[3.3]庚烷）被认为是有前途的受空间约束的二胺结构药物发现。已经开发了合成其Boc单保护衍生物的方法，旨在制备多克量的化合物。这些新颖的合成方案利用经典的丙二酸酯烷基化化学方法来构建环丁烷环。环丁烷二胺衍生物的构象偏好已通过X射线衍射进行了评估，并与空间受限的二胺的文献数据进行了比较，后者是市售药物的组成部分。
• Preparation and Biological Activities of Novel Tetra-arylidene Barbituric Acids Containing Ether Spacers
  作者：Ramin Rezaei Tehrani、Enayatollah Sheikhhosseini、Dadkhoda Ghazanfari、Mohammadreza Akhgar

  DOI：10.1080/00304948.2022.2031714

  日期：2022.5.4

  (2022). Preparation and Biological Activities of Novel Tetra-arylidene Barbituric Acids Containing Ether Spacers. Organic Preparations and Procedures International: Vol. 54, No. 3, pp. 249-258.

  （2022 年）。含有醚间隔基的新型四亚芳基巴比妥酸的制备和生物活性。国际有机制剂和程序：卷。54，第 3 期，第 249-258 页。
• Process for producing heterocyclic aldehyde
  申请人：Shiomi Yasuhiro

  公开号：US20050124807A1

  公开（公告）日：2005-06-09

  The present invention provides a process for preparing a heterocyclic aldehyde by oxidizing a heterocyclic alcohol with high selectivity and high yield. Specifically, the heterocyclic aldehyde is prepared by reacting a heterocyclic compound having at least one hydroxymethyl group bonded to a carbon atom of a heterocyclic ring with a hypohalogenous acid salt in the presence of a base to oxidize the hydroxymethyl group, wherein reaction is conducted in the co-presence of a 2,2,6,6-tetramethylpiperidine-1-oxyl derivative having at least two 2,2,6,6-tetramethylpiperidine-1-oxyl-4-yl groups.

  本发明提供了一种通过氧化具有高选择性和高产率的杂环醇来制备杂环醛的方法。具体来说，通过将至少有一个羟甲基基团与杂环环的碳原子键合的杂环化合物与次氯酸盐在碱的存在下反应，氧化羟甲基基团来制备杂环醛，其中反应在共存至少具有两个2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的共存下进行。
• Inter- and intra-molecular pathways in polyamine synthesis from diamines †
  作者：Min-Ho Choi、Bok Jo Kim、Il-Chool Kim、Seo-Hyang Kim、Yang Kim、Jack M. Harrowfield、Man-Kil Lee、Mauro Mocerino、Elisabeth Rukmini、Brian W. Skelton、Allan H. White

  DOI：10.1039/b008452m

  日期：——

  Characterisation, largely through crystal structure determinations of their metal complexes, of the polyamine products of several reactions between (in all but one case) polyalcohol benzenesulfonates and 1,2- and 1,3-diamines, confirmed that intramolecular reaction pathways are important only in the 1,2-diamine reactions. Even under conditions where the amine reactants are in large excess, however, it is possible to obtain products resulting from alkylation of a diamine by more than one molecule of sulfonate (or, in one case, of a bromochloroalkane). In metal ion complexes formed by the new ligands there are examples of only partial coordination of the N-donor sites, giving species which might be suitable for further, selective functionalisation at the unbound centres. Conversion of the complexes into macrocyclic derivatives also suited to further functionalisation is straightforward.

  通过对几种反应（在除一个例外外，都是多醇苯磺酸盐与1,2-和1,3-二胺的反应）中多胺产物的金属复合物进行晶体结构测定，确认了分子内反应路径仅在1,2-二胺反应中重要。然而，即使在胺反应物过量的情况下，仍然可以获得由多个磺酸盐分子（或在一个案例中，由溴氯烷烃）烷基化二胺所形成的产物。在由新的配体形成的金属离子复合物中，只有部分N供体位点的配位是常见的，这形成了可能适合在未结合的中心进一步选择性功能化的物种。将这些复合物转化为适合进一步功能化的宏环衍生物是相对简单的。