1,4,7-trioxa-10,13-dithia-cyclopentadecane | 40253-97-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4,7-trioxa-10,13-dithia-cyclopentadecane
• 英文别名: 1,4,7-trioxa-10,13-dithiacyclopentadecane；1,4-dithia-7,10,13-trioxacyclopentadecane；1,4-dithia-15-crown-5；[15]aneO3S2；[15]aneS2O3；1,4-Dithio-<15>-krone-5
• CAS: 40253-97-2
• 化学式: C₁₀H₂₀O₃S₂
• 分子量: 252.399
• InChiKey: ACJFLKMRUKBLTM-UHFFFAOYSA-N

物化性质

• 沸点：
  403.1±45.0 °C(Predicted)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1,4,7-trioxa-10,13-dithia-cyclopentadecane 、 三氟化锑 以 甲醇 为溶剂， 反应 16.0h， 生成 [SbF3([15]aneO3S2)]
  参考文献：
  名称：

  Synthesis and structures of antimony(III) halide complexes with oxa-thia and oxa-selena crowns

  摘要：

  Reaction of the oxa-thia macrocycle 1,10-dithia-4,7,13,16-tetraoxacyclooctadecane ([18]aneO(4)S(2)) in a 1:1:1 mol ratio with SbCl3 and SbCl5 in MeCN gave [SbCl2([18]aneO(4)S(2))][SbCl6] which contains an eight-coordinate cation. In the absence of SbCl5, the compounds [SbCl3([18]aneO(4)S(2))], and [SbCl2([18]-aneO(4)S(2))](2)[Sb3Cl11] form. Crystals of [SbCl2([18]-aneO(4)Se(2))](2)[Sb3Cl11] ([18]aneO(4)Se(2) = 1,10-diselena-4,7,13,16-tetraoxacyclooctadecane) were also obtained. The reaction of Sbl(3) with [18]aneO(4)S(2) gave [Sbl(2)([18]aneO(4)S(2))]]Sb2I7], which has a similar cation to the chloro-complexes. The smaller ring, 1,4-dithia-7,10,13-trioxacyclopentadecane ([15]aneO(3)S(2)) formed the discrete eight coordinate complex [SbCl3([15]aneO(3)S(2))]. However, the small macrocycle 1,4,-dithia-7-oxacyclononane ([9]aneOS(2)) gave [SbCl3([9]aneOS(2))] which is polymeric with a double chain structure involving exo-coordination of S-donors from two different ligands to the antimony and a long endo interaction (S-2) with a third macrocycle. The neutral SbF3 complexes, [SbF3([18]aneO4(S2))], [SbF3([18]aneO(4)Se(2))] and [SbF3([15]aneO(3)S(2))] are also described. X-ray crystal structures are reported for [SbCl2([18]aneO(4)S(2))][SbCl6], [SbCl2([18]aneO(4-)S(2))](2)[Sb3Cl11], [SbCl2([18]aneO(4)Se(2))](2)[Sb3Cl11. [SbI2([18]aneO(4)S(2))[Sb2.5I9.5], [SbCl3([15]aneO(3)S(2))], [SbF3([15]aneO(3)S(2))] and [SbCl3([9]aneOS(2))]. Comparisons are drawn with the Sb(III) complexes of crown-ethers and thia-macrocycles. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.063

文献信息

• Lead(ii) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF4]− and [PF6]− coordination
  作者：Paolo Farina、Thomas Latter、William Levason、Gillian Reid

  DOI：10.1039/c3dt32999b

  日期：——

  κ2-coordinated PF6− groups disposed cis, with a very folded macrocycle conformation. In [Pb(18-crown-6)(NO3)(PF6)] a chelating nitrate group occupies the coordination sites at Pb(II) instead of the two water molecules, and the weakly coordinating PF6− group is tridentate. The crystal structures of the lead nitrate complexes, [Pb(15-crown-5)(NO3)2] and [Pb([18]aneO4Se2)(NO3)2], containing nine- and 10-coordinate

  铅[BF的反应4 ] 2 H中2 O / MeCN中的溶液与所述大环18-冠-6，得到双核配合物[铅（18-冠-6）（H 2 O）（μ 2 -BF 4） } 2 ] [BF 4 ] 2，含有两个九坐标引线中心，每个绑定到冠配体，一个水分子的所有六个氧和桥由两个μ 2 -BF 4的基团。相比之下，氧杂硫杂冠[18] aneO 4 S 2给出了单核[Pb（[18] aneO 4 S 2）（H 2 O）2（BF 4）] [BF 4 ]其中引线协调ø 4 š 2大环的皱褶环内，并与所述平面的一侧和螯合剂两个水分子（κ 2）BF 4 -的其他上。上的[PB（[18] aneO 4硒2）（BF 4）2 ]具有两个BF 4 -基团布置相互顺式和折叠大环; 每个BF内4 -基团的Pb-F的距离由〜0.5埃不同，从而产生非常不对称螯合物。15元环大环15-crown-5和[15] aneO 3 S 2生产
• Studies on Chromium(III) and Vanadium(III) Complexes with Crown Ether and Crown Thioether Coordination – Synthesis, Properties and Structural Systematics
  作者：Charlotte D. Beard、Loretta Carr、Martin F. Davis、John Evans、William Levason、Louise D. Norman、Gillian Reid、Michael Webster

  DOI：10.1002/ejic.200600573

  日期：2006.11

  series of six-coordinate chloro Cr-III and V-III complexes involving crown ether, crown thioether and mixed ether/thioether crowns, [MCl3(crown)] (M = Cr or V, crown = 12-crown-4, 15-crown-5,18-crown-6, [12]aneS(4), [15]aneS(5), [9]aneS(2)O, [15]aneS(2)O(3), [18]aneS(3)O(3)) has been prepared by the reaction of [MCl3(thf)(3)] with rigorously dried crown in anhydrous CH2Cl2. In the presence of small amounts

  一系列涉及冠醚、冠硫醚和混合醚/硫醚冠的六配位氯 Cr-III 和 V-III 配合物，[MCl3(crown)] (M = Cr 或 V，冠 = 12-crown-4, 15 -crown-5,18-crown-6, [12]aneS(4), [15]aneS(5), [9]aneS(2)O, [15]aneS(2)O(3), [18] ]aneS(3)O(3)) 是通过 [MCl3(thf)(3)] 与严格干燥的冠在无水 CH2Cl2 中反应制备的。在少量水的存在下，获得单水物质 [MCl3(H2O)(15-crown-5)] 和 [MCl3(H2O)(18-crown-6)]。产品已通过红外和紫外/可见光谱、微量分析和 [CrCl3(H2O)(18-crown-6)]、[VCl3(H2O)(15-crown-5)] 和 [CrCl3([15] aneS(5))]，通过 X 射线晶体学。特别是
• Crown ether complexes of titanium(iv) chloride and bromide and the structures of the hydrolysis products [Ti2Cl6(µ-O)(18-crown-6)2] and [Ti4Cl8(µ-O)4(15-crown-5)4]
  作者：William Levason、Michael C. Popham、Gillian Reid、Michael Webster

  DOI：10.1039/b210012f

  日期：2003.1.29

  the thia-oxa-crown coordinated via sulfur to the titanium. The complexes are extremely readily hydrolysed and examples of the first two stages of the hydrolysis have been characterised by X-ray crystallography. These are the dimer [(18-crown-6)Cl3Ti(μ-O)TiCl3(18-crown-6)] which contains a single non-linear oxo-bridge linking two six-coordinate titanium centres also coordinated η2 to 18-crown-6 and to

  12冠4、15冠5和3冠的钛（IV）配合物18冠6 和的 1,4-二硫-7,10,13-三氧杂环戊烷型的（L'）[TIX 4（η 2 -L）（X = Cl或Br，L = 15-冠-5或18冠6; X = Br，L = 12-crown-4）和[TiCl 4（L'）]是由TiX 4制备的，配体 在无水 甲苯，并通过分析来表征， 红外， 紫外线可见 和 1 H NMR光谱。与TiI 4的络合物在相似条件下不会形成。[TiCl 4（L'）]配合物包含硫杂-氧杂-王冠协调经由硫的钛。络合物极易水解，并且水解的前两个阶段的实例的特征在于X射线晶体学。这些是二聚体[（18-crown-6）Cl 3 Ti（μ-O）TiCl 3（18-crown-6）]，其中包含连接两个六坐标钛中心的单个非线性氧桥，该钛中心也坐标为η 2至18冠6和三个（mer）氯。所述第二产品是四聚[TiOCl 2（15-冠-5）}
• Tungsten(VI) and Molybdenum(VI) Complexes with Soft Thioether Ligand Coordination – Synthesis, Spectroscopic and Structural Studies
  作者：Martin F. Davis、William Levason、Mark E. Light、Raju Ratnani、Gillian Reid、Keerti Saraswat、Michael Webster

  DOI：10.1002/ejic.200700043

  日期：2007.5

  very distorted octahedral geometry (confirmed by a crystal structure of [WO2Cl2iPrS(CH2)2SiPr}]). The strongly polymerised WO2X2 compounds themselves are not useful synthons for the preparation of the WVI thioether complexes and substitution of the dimethoxyethane ligand in [WO2Cl2MeO(CH2)2OMe}] by dithioethers is also incomplete. Molybdenum(VI) dioxidodichloride thioether complexes of the form [MoO2Cl2(L)]

  WX6（X = Cl 或 Br）与 O(SiMe3)2 在 CH2Cl2 中反应，然后加入 MeCN 和在 CH2Cl2 中进一步等量的 O(SiMe3)2，原位生成 [WO2X2(MeCN)2]，随后反应与二硫醚 MeS(CH2)2SMe、iPrS(CH2)2SiPr 或 1,4-二噻烷生成第一系列 WVI 硫醚配合物 [WO2X2(二硫醚)]。对湿气非常敏感的黄色配合物已通过微量分析、IR、1H 和 13C1H} NMR 光谱表征，这表明单体中的顺式二氧化和反式二卤化物排列具有两个硫醚供体原子，完成了非常扭曲的八面体几何形状（确认通过 [WO2Cl2iPrS(CH2)2SiPr}] 的晶体结构）。强聚合的 WO2X2 化合物本身不是用于制备 WVI 硫醚复合物的合成子，并且 [WO2Cl2MeO(CH2)2OMe}] 中的二甲氧基乙烷配体被二硫醚取代也是不完全的。[MoO2Cl2(L)]
• Primary and secondary coordination of crown ethers to scandium(iii). Synthesis, properties and structures of the reaction products of ScCl3(thf)3, ScCl3·6H2O and Sc(NO3)3·5H2O with crown ethers
  作者：Michael D. Brown、William Levason、David C. Murray、Michael C. Popham、Gillian Reid、Michael Webster

  DOI：10.1039/b210458j

  日期：2003.2.24

  chains. Similar complexes have been isolated directly from reaction of ScCl3·6H2O and the crown ethers in absolute ethanol, including [ScCl3(H2O)3]n·(crown) (n = 1 or 2, crown = 18-crown-6; n = 2, crown = 15-crown-5 or 12-crown-4). Hydrated scandium nitrate and the crown ethers react in ethanol solution to form a surprisingly diverse range of structural types containing the crown ethers hydrogen bonded

  [ScCl（15-crown-5）（MeCN）] [SbCl 6 ] 2，[ScCl 2（18-crown-6）] [FeCl 4 ]和[ScCl 2（[15] aneS 2 O 3）] [FeCl 4 ]（[15] aneS 2 O 3 =1,4-二硫-7,10,13-三氧杂环戊烷），最后一个包含硫醚-scan（III）配位的第一个例子。[ScCl（15-crown-5）（MeCN）] [SbCl 6 ] 2的结构揭示了五边形双锥体阳离子具有轴向Cl和MeCN，而[ScCl 2（18-crown-6）] [FeCl 4 ]也是具有轴向Cl的五角双锥体配体。1 H和45 Sc NMR光谱已用于研究在无水MeCN中路易斯酸SbCl 5和FeCl 3存在下ScCl 3 / 18-crown-6系统中的形态。水解以上任何一种配合物和[Sc（12-crown-4）2 ] 3+ （由ScCl 3（thf）3形成，王冠和SbCl