2,5,16-Trioxa-13,19-dithiatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene | 354805-99-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,5,16-Trioxa-13,19-dithiatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene
• 英文别名: 2,5,16-trioxa-13,19-dithiatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene
• CAS: 354805-99-5
• 化学式: C₂₀H₂₄O₃S₂
• 分子量: 376.541
• InChiKey: VNJASAXGPDLDLR-UHFFFAOYSA-N

物化性质

• 沸点：
  568.4±50.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,5,16-Trioxa-13,19-dithiatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene 、 silver picrate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  The effect of anion–ligand π-stacking interaction on silver(I) extraction by thiaoxa-macrocycles: A search for the evidences by X-ray and NMR approaches

  摘要：

  S2Ox macrocyclic ligands with (L-1: x = 3 and L-2: x = 4) and without (L-3: x = 3 and L-4: x = 4) dibenzo-subunit were employed as extractants to clarify the anion-ligand interaction on the extraction efficiency of soft metal picrates. All of the ligands shows silver(l) selectivity and the silver picrate was more extractable with L-1 and L-2 when compared with L-3 and L-4. From the X-ray and NMR data, the enhanced extractability for the silver picrate by L-1 and L 2 was revealed due to the additional stabilization of the complexes, [Ag(L)picrate], by anion-ligand pi-pi interaction between the picrate ion and one benzo-subunit in the ligand. Such anion-ligand interaction would give a valuable hint for the molecular design of new extractants for the soft metal ions including silver(l). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2005.10.009

文献信息

• Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers
  作者：Hyun Jee Kim、In-Hyeok Park、Ji-Eun Lee、Ki-Min Park、Shim Sung Lee

  DOI：10.1021/cg500966z

  日期：2014.12.3

  Cu4I4-cubane linked 2D coordination polymer [(Cu4I4)(L1)2]·CH2Cl2}n (5), one-dimensional (1D) tubular coordination polymer [(Cu4I4)(L2)2]·0.8CH2Cl2·0.2CH3CN}n (6), Cu2I2-rhomboid linked 2D coordination polymer [(Cu2I2)(L3)2]n (7), and 2D coordination polymer [(Cu2I2)(L4)2]n (8), respectively. The reactions of the above ligands with mercury(II) salts (I– and SCN–) gave a cyclic dimer complex [Hg2(L3)2I4]

  一系列的O超分子复合物的3小号2端供体（大号1 -大号3）和O 2小号3端供体（大号4）具有不同的环大小的大环（大号1：16元，大号2：17元，大号3和大号4：18元）的合成和结构表征。对于11个建筑群（1 – 11），通过提出的可能的外配位模式，讨论了结构拓扑和配位模式的类型，包括通过M-S键的单核至多核和环外至环外的配位。的反应大号1，大号3，和大号4与银（I）盐（BF 4 -和CF 3 COO - ），得到4只配合1 - 4具有不同的拓扑结构：二内环单核配合物[Ag（上大号1）NO 3 ]（1）和[Ag（L 1）] BF 4（2）和两个具有二维（2D）配位的环外络合物[Ag（L 3）（CF 3 COO）] n（3）和[Ag 2（L 4）2（CF 3 COO）2 ]（4）网络和循环二聚体结构。在与碘化铜（I）的反应中，L 1 - L 4提供了Cu 4 I 4-古巴连接的二维配位聚合物[（Cu
• Donor effect on supramolecular structures of silver(i) perchlorate complexes of macrocycles with O2S2X (XS, O and NH) donor sets
  作者：Il Yoon、Joobeom Seo、Ji-Eun Lee、Mi Ryoung Song、So Young Lee、Kyu Seong Choi、Ok-Sang Jung、Ki-Min Park、Shim Sung Lee

  DOI：10.1039/b506438d

  日期：——

  donor variations of O(2)S(2)X-donor macrocycles (L(1): X=S, L(2): X=O and L(3): X=NH) towards silver(I) perchlorates, four supramolecular complexes (1-3) with different topologies have been isolated; L(1) afforded solvent- and anion-free sandwich complex (1), otherwise L(2) and L(3) gave the dimeric (2a), 1-D polymeric (2b), and tetrameric bowl-type (3) complexes with solvent or anion coordination.

  通过简单的一个供体向银的O（2）S（2）X-供体大环（L（1）：X = S，L（2）：X = O和L（3）：X = NH）的变化（I）高氯酸盐，已分离出四种具有不同拓扑结构的超分子复合物（1-3）；L（1）提供不含溶剂和阴离子的三明治复合物（1），否则L（2）和L（3）得到二聚体（2a），1-D聚合物（2b）和四聚体碗型（3）与溶剂或阴离子配位的配合物。
• Solvent-induced mono- and diplatinum(II) complexes of O3S2-macrocycle
  作者：Joobeom Seo、Ki-Min Park、Il Yoon、Hyun Jee Kim、Shim Sung Lee

  DOI：10.1016/j.inoche.2008.04.018

  日期：2008.8

  O3S2-macrocycle L with K2PtCl4 afforded mono- (1) or dinuclear (2) complexes depending on the solvent used. From the X-ray crystal structures, it is confirmed that one water molecule stabilizes the diplatinum complex 2 via hydrogen bond.

  摘要 O3S2-大环 L 与 K2PtCl4 的反应根据所使用的溶剂提供单核 (1) 或双核 (2) 络合物。从 X 射线晶体结构可以证实，一个水分子通过氢键稳定二铂配合物 2。
• Supramolecular copper(I) halide complexes of O2S2X (X = S, O and NH) macrocycles exhibiting dinuclear, 1D- and 2D-coordination polymeric structures
  作者：Minhye Jo、Joobeom Seo、Leonard F. Lindoy、Shim Sung Lee

  DOI：10.1039/b906474e

  日期：——

  The effect of varying donor X in otherwise structurally similar O2S2X-macrocycles (L1: X = S, L2: X = O and L3: X = NH) on the corresponding assembly reactions with Cu(I) halides has been demonstrated to yield three supramolecular complexes with different architectures: L1 resulted in a discrete dimeric complex (1), while L2 and L3 gave respectively 1D (2) and 2D (3) coordination polymers; the solid state photoluminescence of 3 is also described.

  研究证明，在结构相似的 O2S2X-大环（L1：X = S；L2：X = O 和 L3：X = NH）中改变供体 X 对与卤化铜（Cu(I) ）的相应组装反应的影响，可产生三种具有不同结构的超分子配合物：L1 生成了离散的二聚复合物（1），而 L2 和 L3 则分别生成了一维（2）和二维（3）配位聚合物。
• Donor-Set-Induced Coordination Sphere and Oxidation-State Switching in the Copper Complexes of O₂S₂X (X = S, O and NH) Macrocycles
  作者：Minhye Jo、Joobeom Seo、Moo Lyong Seo、Kyu Seong Choi、Seong Keuck Cha、Leonard F. Lindoy、Shim Sung Lee

  DOI：10.1021/ic901009r

  日期：2009.9.7

  Reaction of the O2S2X-macrocycles (L-1, X = S; L-2, X = NH; and L-3, X = O) with Cu(ClO4)(2)center dot 6H(2)O affords 1:1 (M/L) square-pyramidal Cu(II) complexes when X = S and NH but yields a rare 1:2 sandwich-type tetrahedral Cu(I) complex when X = O; the X-ray structures of all three complexes are reported. Substitution of O for S or NH in the ligand structure thus results in a donor-set-induced II/I oxidation state change of the copper, and this is accompanied by a square-pyramidal to tetrahedral topological change in the solid state. Spectrophotometric titration data (including Job plots) indicate that similar behavior occurs in acetonitrile. In further experiments aimed at investigating the generality of the above redox behavior, it was shown that the 16- and 18-membered analogs of the 17-membered L-3 also induce a similar II/I redox change in acetonitrile. It was demonstrated for L-3 that the above-induced Cu(II/I) change is also maintained when the reaction solvent is changed from acetonitrile to methanol or ethanol.