8,11,23,26-Tetraoxa-5,14,20,29-tetrathiatricyclo[16.12.0.03,16]triaconta-1(18),2,16-triene | 1507408-69-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 8,11,23,26-Tetraoxa-5,14,20,29-tetrathiatricyclo[16.12.0.03,16]triaconta-1(18),2,16-triene
• 英文别名: 8,11,23,26-tetraoxa-5,14,20,29-tetrathiatricyclo[16.12.0.03,16]triaconta-1(18),2,16-triene
• CAS: 1507408-69-6
• 化学式: C₂₂H₃₄O₄S₄
• 分子量: 490.774
• InChiKey: JTFKYPYAGQJZBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.71
• 重原子数：
  30.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  copper(l) iodide 、 8,11,23,26-Tetraoxa-5,14,20,29-tetrathiatricyclo[16.12.0.03,16]triaconta-1(18),2,16-triene 以 氯仿 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  配体诱导的碘化铜（I）簇的形成：具有双二硫杂大环异构体的环外配位聚合物

  摘要：

  据报道，由嵌入在双大环主体异构体中的不同形状（或大小）的环外结合位点诱导的客体簇形成的比较研究。发生反应的CuI与双- dithiamacrocycle，的两种区域异构体ø -双-L（W形结合位点）和米-双-L（U形结合位点），以产生一维配位聚合物{[（μ 4 -的Cu 4我4）（ø -双-L）]·2CH 3 CN} ñ（1A）和[（μ 4 -Cu 2我2）（米-双-L）] ñ（2）。在图1A中，直径： -双-L异构体是由一个宽敞的立方烷联配体[铜4我4 ]簇，而米-双-L中的配体2是由更小的菱形连结物[Cu 2我2 ]由于簇不同的环外结合位点。观察到的结果说明了包含[Cu n I n ]（n= 2或4）通过结合位点的交替或设计采用受控形式。由于形成的自适应团簇，产品显示出不同的光物理性质。此外，在环境条件下晶格溶剂分子损失后，观察到1a中一维链的滑动。

  DOI：

  10.1021/acs.inorgchem.5b02314
• 作为产物：
  描述：

  2,2'-(1,2-乙二基双氧代)双乙硫醇 、 四溴甲苯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以26%的产率得到8,11,23,26-Tetraoxa-5,14,20,29-tetrathiatricyclo[16.12.0.03,16]triaconta-1(18),2,16-triene
  参考文献：
  名称：

  Regioisomer-Dependent Endo- and Exocyclic Coordination of Bis-Dithiamacrocycles

  摘要：

  Syntheses of the regioisomers of bis-dithiamacrocycle and the regioisomer-controlled endo- and exocyclic coordination behaviors are reported. Direct bis-cyclization reaction of 1,2,4,5-tetra(bromomethyl)benzene with 3,6-dioxa-1,8-octanedithiol led to a mixture of two bis-dithiamacrocycle regioisomers (ortho-type; o-bis-L and meta-type; m-bis-L) which were separated by recrystallization and column chromatography. When the two isomers were reacted with AgPF6, o-bis-L gave an endocyclic one-dimensional (1-D) coordination polymer {[Ag-3(o-bis-L)(2)(CH3CN)](PF6)(3)center dot 2CH(3)CN} (1) with a 3:2 (metal-to-ligand) stoichiometry, while m-bis-L afforded an exocoordination-based 1-D polymeric complex {[Ag(m-bis-L)](PF6)}(n) (2) with a 2:2 stoichiometry. The observed endo- and exocoordination modes depending on the isomers were discussed in terms of the S center dot center dot center dot S distances in the bis-dithiamacrocycle isomers. Due to the closer S center dot center dot center dot S distance in each macrocyclic ring, o-bis-L is suitable for the endocoordination. However, m-bis-L forms an exocyclic complex because the S center dot center dot center dot S distance between two macrocyclic rings is shorter than that in one macrocyclic ring. NMR experiments also revealed that o-bis-L and m-bis-L form the endo- and the exocyclic complexes, respectively, in solution.

  DOI：

  10.1021/ic402346z

文献信息

• Ligand Isomer Effect on the Formations of Supramolecular Lead(II), Mercury(II), and Copper(II)/Mercury(II) Complexes of Bis-O₂S₂-Macrocycle
  作者：Seulgi Kim、Arlette Deukam Siewe、Eunji Lee、Huiyeong Ju、In-Hyeok Park、Jong Hwa Jung、Yoichi Habata、Shim Sung Lee

  DOI：10.1021/acs.cgd.8b00052

  日期：2018.4.4

  isomer effect on the coordination modes and topologies of the supramolecular complexes. Lead(II) perchlorate afforded an infinite one-dimensional (1-D) coordination polymer [Pb2(o-bis-L)(μ-ClO4)2(ClO4)2]}n (1) and a discrete complex [Pb2(m-bis-L)(CH3CN)2(H2O)2(ClO4)2](ClO4)2 (2), both of which are based on the endocyclic binuclear complexes mainly due to the oxophilicity of the lead(II) ion. Meanwhile

  除了先前获得的bis-O 2 S 2-大环的邻位异构体（o -bis-L）和间位异构体（m- bis - L）外，新分离了其对位异构体（p- bis - L）。 ，并通过单晶X射线分析对完整的异构体系列进行结构表征。在复杂情况下，边界线（Pb 2+）和软边界线（Hg 2+和Cu +用金属盐研究异构体对超分子配合物配位模式和拓扑结构的影响。铅（II），高氯酸，得到一个无限的一维（1-d）的配位聚合物[铅2（ø -双-L ）（μ-CLO 4）2（CLO 4）2 ]} Ñ（1）和一个分立络合物[Pb 2（m - bis - L）（CH 3 CN）2（H 2 O）2（ClO 4）2 ]（ClO 4）2（2），两者均基于环内双核络合物，主要是由于铅（II）离子的亲氧性。同时，卤化汞（II）表现出环内双核络合物[Hg 2（o -bis-L）I 2 ] [Hg 3 I 8 ]（3）和环外一维配位聚合物[Hg
• Regioisomer-Dependent Endo- and Exocyclic Coordination of Bis-Dithiamacrocycles
  作者：Arlette Deukam Siewe、Ja-Yeon Kim、Seulgi Kim、In-Hyeok Park、Shim Sung Lee

  DOI：10.1021/ic402346z

  日期：2014.1.6

  Syntheses of the regioisomers of bis-dithiamacrocycle and the regioisomer-controlled endo- and exocyclic coordination behaviors are reported. Direct bis-cyclization reaction of 1,2,4,5-tetra(bromomethyl)benzene with 3,6-dioxa-1,8-octanedithiol led to a mixture of two bis-dithiamacrocycle regioisomers (ortho-type; o-bis-L and meta-type; m-bis-L) which were separated by recrystallization and column chromatography. When the two isomers were reacted with AgPF6, o-bis-L gave an endocyclic one-dimensional (1-D) coordination polymer [Ag-3(o-bis-L)(2)(CH3CN)](PF6)(3)center dot 2CH(3)CN} (1) with a 3:2 (metal-to-ligand) stoichiometry, while m-bis-L afforded an exocoordination-based 1-D polymeric complex [Ag(m-bis-L)](PF6)}(n) (2) with a 2:2 stoichiometry. The observed endo- and exocoordination modes depending on the isomers were discussed in terms of the S center dot center dot center dot S distances in the bis-dithiamacrocycle isomers. Due to the closer S center dot center dot center dot S distance in each macrocyclic ring, o-bis-L is suitable for the endocoordination. However, m-bis-L forms an exocyclic complex because the S center dot center dot center dot S distance between two macrocyclic rings is shorter than that in one macrocyclic ring. NMR experiments also revealed that o-bis-L and m-bis-L form the endo- and the exocyclic complexes, respectively, in solution.
• Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers
  作者：Seulgi Kim、Arlette Deukam Siewe、Eunji Lee、Huiyeong Ju、In-Hyeok Park、Ki-Min Park、Mari Ikeda、Yoichi Habata、Shim Sung Lee

  DOI：10.1021/acs.inorgchem.5b02314

  日期：2016.3.7

  A comparative study on the formation of guest clusters induced by different shapes (or sizes) of exocyclic binding sites embedded in the bis-macrocyclic host isomers is reported. CuI reacts with two regioisomers of a bis-dithiamacrocycle, o-bis-L (W-shaped binding site) and m-bis-L (U-shaped binding site), to yield one-dimensional coordination polymers [(μ4-Cu4I4)(o-bis-L)]·2CH3CN}n (1a) and [(μ4-Cu2I2)(m-bis-L)]n

  据报道，由嵌入在双大环主体异构体中的不同形状（或大小）的环外结合位点诱导的客体簇形成的比较研究。发生反应的CuI与双- dithiamacrocycle，的两种区域异构体ø -双-L（W形结合位点）和米-双-L（U形结合位点），以产生一维配位聚合物[（μ 4 -的Cu 4我4）（ø -双-L）]·2CH 3 CN} ñ（1A）和[（μ 4 -Cu 2我2）（米-双-L）] ñ（2）。在图1A中，直径： -双-L异构体是由一个宽敞的立方烷联配体[铜4我4 ]簇，而米-双-L中的配体2是由更小的菱形连结物[Cu 2我2 ]由于簇不同的环外结合位点。观察到的结果说明了包含[Cu n I n ]（n= 2或4）通过结合位点的交替或设计采用受控形式。由于形成的自适应团簇，产品显示出不同的光物理性质。此外，在环境条件下晶格溶剂分子损失后，观察到1a中一维链的滑动。