2,4-Dioxa-12,16-dithiatricyclo[16.4.0.05,10]docosa-1(22),5,7,9,18,20-hexaene | 936842-37-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2,4-Dioxa-12,16-dithiatricyclo[16.4.0.05,10]docosa-1(22),5,7,9,18,20-hexaene
• 英文别名: 2,4-dioxa-12,16-dithiatricyclo[16.4.0.05,10]docosa-1(22),5,7,9,18,20-hexaene
• CAS: 936842-37-4
• 化学式: C₁₈H₂₀O₂S₂
• 分子量: 332.488
• InChiKey: FVQHICSZUJDQSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-Dioxa-12,16-dithiatricyclo[16.4.0.05,10]docosa-1(22),5,7,9,18,20-hexaene 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 以 甲醇 、 二氯甲烷 为溶剂， 以23%的产率得到
  参考文献：
  名称：

  Interaction of silver(I) and copper(I) with an O2S2-macrocycle – A comparative structural study

  摘要：

  The 14-membered O2S2-macrocycle L reacts with AgPF6 in acetonitrile/dichloromethane (1: 1) to yield the cyclic, double S-Ag-S bridged complex, [Ag2L2(CH3CN)(4)](PF6)(2) (2), in which each Ag(I) is bound to two exo-oriented S donors arising from different macrocycles to form a 12-membered, di-Ag metallacycle. Two PF6 ions form weak intramolecular contacts [Ag center dot center dot center dot F, 2.925(2)angstrom] between the Ag centres in a bridging bidentate fashion. The coordination sphere of each Ag is completed by two weakly bound acetonitrile molecules. The respective macrocyclic ligands are arranged trans to the mean plane through the metallacycle. When the above synthetic procedure was repeated employing methanol/dichloromethane (1:1) as solvent, a complex of type [Ag2L2](PF6)(2) (3) was obtained whose structure incorporates a similar 12-membered metallacycle but with the respective macrocyclic rings now oriented towards the same side of the metallacyclic plane. The reaction of L with AgCF3SO3 yields [Ag2L2(CF3SO3)(2)]center dot 2CH(3)CN (4) whose structure resembles that of [Ag2L2(CH3CN)(4)] (PF6)(2) (2); each complex unit incorporates a di-Ag(I) 12-membered metallacycle, with symmetrical bridging bidentate CF3SO3 ions weakly linking Ag centres. Long Ag1 center dot center dot center dot Ag1C contacts are present between pairs of complex units. Reaction of Cu(CH3CN)(4)PF6 (one equiv.) with L in methanol/dichloromethane (1: 1) resulted in isolation of [CuL2]PF6 (5) incorporating a distorted tetrahedral S-4-coordination sphere, with each macrocycle binding as a bidentate ligand via its two (exo-orientated) S atoms. In contrast, reaction of [Cu(CH3CN)(4)]PF6 (two equiv.) with L in either acetonitrile/dichloromethane (1: 1) or methanol/dichloromethane (1: 1) yielded [Cu2L3]PF6 (6) in which the Cu(I) centres are bound exo to the macrocyclic cavity by individual S-donors from one L, with the coordination sphere of each Cu(I) completed by out-of-plane binding of the S2O donors from a second L. Unsymmetrical F center dot center dot center dot Cu contacts from a PF6 anion weakly link the pair of Cu centres in a bridging bidentate fashion. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.11.020
• 作为产物：
  描述：

  、 1,3-丙二硫醇 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 以28%的产率得到2,4-Dioxa-12,16-dithiatricyclo[16.4.0.05,10]docosa-1(22),5,7,9,18,20-hexaene
  参考文献：
  名称：

  多（双环二聚体）和环状四聚体：超分子银（I）配合物组装过程中 S2O2 大环化合物的配体异构

  摘要：

  已经合成了两个具有 14 元腔的异构 S2O2 大环（L1 和 L2）作为具有不同结合模式的模型系统。L1 和 L2 与高氯酸银的自组装反应提供了各自不同形状的配体导向环状低聚物配合物：多（双环二聚体）（1）和离散环状四聚体（2）。由于环刚性和供体间距离，这些超分子复合物的形成根据两个异构大环的构象区分进行了讨论。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200600290

文献信息

• Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions
  作者：Seulgi Kim、Eunji Lee、Ki-Min Park、Shim Sung Lee

  DOI：10.1039/c3ce41573b

  日期：——

  reacts with copper(I) halides and afforded isostructural complexes of type [(Cu2X2)L]n (1: X = Cl, 2: X = Br) adopting a two-dimensional (2-D) polymeric structure linked by square-type Cu2X2 clusters, while copper(I) iodide gave a yellow emissive complex [(Cu4I4)L2]·2.5H2O}n (3) whose crystal structure was not available. Treatment of L with copper(I) thiocyanate gave an infinite 2-D coordination network

  报道和结构的基于环外配位的超分子配合物的14元二苯并-O 2 S 2-大环，L，与硫族软金属离子Cu（I），Hg（II）和Pd（II）。确定了这八种络合物的X射线晶体结构，并获得了一系列较不常见的结构类型，包括具有离散和无限形式的单核和多核物种。L与卤化铜（I）反应，得到[[Cu 2 X 2）L ] n（1：X = Cl，2：X = Br）采用由方形Cu 2 X 2簇连接的二维（2-D）聚合结构，而碘化铜（I）给出黄色的发光络合物[（Cu 4 I 4）L 2 ]·2.5H 2 O} n（3），其晶体结构不可用。治疗的大号用铜（我）硫氰酸得到无限2-d协调网络[铜大号SCN] Ñ（4），在该铜原子被SCN链接-形成一维主链，然后通过L–经由Cu–S键进一步交联，从而形成网格型分层结构。的反应大号与HGX 2（X = Br和I）导致了一个有趣的“常春藤叶”的形成状的络合物[汞柱大号溴2 ]
• A co-crystallised coordination system that exhibits two different bis(O2S2 macrocycle) palladium(II) complexes in one single-crystal
  作者：So Young Lee、Ki-Min Park、Shim Sung Lee

  DOI：10.1016/j.inoche.2007.12.022

  日期：2008.3

  (L1: 15-membered, L2: 14-membered analogue) were employed as soft donor ligands towards palladium(II). Two-step approach via reaction of 1:1-type complex, [cis-Cl2(L1)Pd], with L2 through a successive treatment of AgClO4 has led to the isolation of a co-crystallised bis(O2S2 macrocycle) palladium(II) complex 1, [Pd(L1)2] · [Pd(L2)2]}(ClO4)4 containing two different homo-ligand bis(O2S2 macrocycle)

  摘要 两个二苯并-O2S2 大环（L1：15 元，L2：14 元类似物）被用作钯 (II) 的软供体配体。通过 1:1 型复合物 [cis-Cl2(L1)Pd] 与 L2 反应的两步法通过连续处理 AgClO4 分离出共结晶的双 (O2S2 大环) 钯 (II) ) 复合物 1, [Pd(L1)2] · [Pd(L2)2]}(ClO4)4 包含两种不同的同配体双（O2S2 大环）类似物。另一方面，在溶液中，电喷雾电离质谱法也证实了混合配体双（O2S2 大环）复合物 [Pd(L1)(L2)]2+ 的形成。
• A Poly(bicyclic dimer) and a Cyclic Tetramer: Ligand Isomerism of S ₂ O ₂ Macrocycles During the Assembly of Supramolecular Silver(I) Complexes
  作者：So Young Lee、Joobeom Seo、Il Yoon、Chung‐Sik Kim、Kyu Seong Choi、Jae Sang Kim、Shim Sung Lee

  DOI：10.1002/ejic.200600290

  日期：2006.9

  Two isomeric S2O2 macrocycles (L1 and L2) with a 14-membered cavity have been synthesised as a model system with different binding modes. Self-assembly reactions of L1 and L2 with silver perchlorate afford the respective ligand-directed cyclic oligomer complexes with different shapes: a poly(bicyclic dimer) (1) and a discrete cyclic tetramer (2). The formation of these supramolecular complexes is discussed

  已经合成了两个具有 14 元腔的异构 S2O2 大环（L1 和 L2）作为具有不同结合模式的模型系统。L1 和 L2 与高氯酸银的自组装反应提供了各自不同形状的配体导向环状低聚物配合物：多（双环二聚体）（1）和离散环状四聚体（2）。由于环刚性和供体间距离，这些超分子复合物的形成根据两个异构大环的构象区分进行了讨论。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
• Interaction of silver(I) and copper(I) with an O2S2-macrocycle – A comparative structural study
  作者：Seulgi Kim、Eunji Lee、So Young Lee、Shim Sung Lee、Leonard F. Lindoy

  DOI：10.1016/j.ica.2013.11.020

  日期：2014.6

  The 14-membered O2S2-macrocycle L reacts with AgPF6 in acetonitrile/dichloromethane (1: 1) to yield the cyclic, double S-Ag-S bridged complex, [Ag2L2(CH3CN)(4)](PF6)(2) (2), in which each Ag(I) is bound to two exo-oriented S donors arising from different macrocycles to form a 12-membered, di-Ag metallacycle. Two PF6 ions form weak intramolecular contacts [Ag center dot center dot center dot F, 2.925(2)angstrom] between the Ag centres in a bridging bidentate fashion. The coordination sphere of each Ag is completed by two weakly bound acetonitrile molecules. The respective macrocyclic ligands are arranged trans to the mean plane through the metallacycle. When the above synthetic procedure was repeated employing methanol/dichloromethane (1:1) as solvent, a complex of type [Ag2L2](PF6)(2) (3) was obtained whose structure incorporates a similar 12-membered metallacycle but with the respective macrocyclic rings now oriented towards the same side of the metallacyclic plane. The reaction of L with AgCF3SO3 yields [Ag2L2(CF3SO3)(2)]center dot 2CH(3)CN (4) whose structure resembles that of [Ag2L2(CH3CN)(4)] (PF6)(2) (2); each complex unit incorporates a di-Ag(I) 12-membered metallacycle, with symmetrical bridging bidentate CF3SO3 ions weakly linking Ag centres. Long Ag1 center dot center dot center dot Ag1C contacts are present between pairs of complex units. Reaction of Cu(CH3CN)(4)PF6 (one equiv.) with L in methanol/dichloromethane (1: 1) resulted in isolation of [CuL2]PF6 (5) incorporating a distorted tetrahedral S-4-coordination sphere, with each macrocycle binding as a bidentate ligand via its two (exo-orientated) S atoms. In contrast, reaction of [Cu(CH3CN)(4)]PF6 (two equiv.) with L in either acetonitrile/dichloromethane (1: 1) or methanol/dichloromethane (1: 1) yielded [Cu2L3]PF6 (6) in which the Cu(I) centres are bound exo to the macrocyclic cavity by individual S-donors from one L, with the coordination sphere of each Cu(I) completed by out-of-plane binding of the S2O donors from a second L. Unsymmetrical F center dot center dot center dot Cu contacts from a PF6 anion weakly link the pair of Cu centres in a bridging bidentate fashion. (C) 2013 Elsevier B. V. All rights reserved.