1,4,6,9,12-Pentathia-5-stannaspiro[4.7]dodecane | 528817-24-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: 1,4,6,9,12-Pentathia-5-stannaspiro[4.7]dodecane
• CAS: 528817-24-5
• 化学式: C₆H₁₂S₅Sn
• 分子量: 363.201
• InChiKey: SQXPYPQDBYRZNE-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (1,2-ethanedithiol)₂Sn(IV) 在 NaOH 作用下， 以 sodium hydroxide 为溶剂， 以18.2%的产率得到1,4,6,9,12-Pentathia-5-stannaspiro[4.7]dodecane
  参考文献：
  名称：

  A new strategy for the preparation of H2tdet intermediate–synthesis and crystal structure of {α-[Sn(edt)2(tdet)]}·{β-[Sn(edt)2(tdet)]} (edt = ethane-1,2-dithiolate, tdet=diethylenetrithiolato)

  摘要：

  A mononuclear tin(IV) complex {alpha-[Sn(edt)(2)(tdet)]} . {beta-[Sn(edt)(2)(tdet)]} was synthesized by the reaction of Sn(edt)(2) and NaOH under hydrothermal conditions and characterized by X-ray structure analysis. Under hydrothermal conditions, two edt ligands turned into one tdet and this provides a new strategy for the preparation of H-2 tdet from cheap material. In the complex, the distances of Sn-S (thiolate) are about 2.4 Angstrom, but the distances of Sn-S (thioether) are about 2.8 Angstrom. Two isomers were found in the molecule. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1387-7003(02)00794-3

文献信息

• Influence of the transannular interaction in spiro-heterocycles containing Ge(IV) and Sn(IV). A comparative study
  作者：Verónica García-Montalvo、María Granados-Ortíz、Alfredo A. Guevara-García、Viviana Lomelí、Sandra González-Gallardo、Diego Ocampo-Gutiérrez de Velasco、Raymundo Cea-Olivares、Simón Hernández-Ortega、Rubén Alfredo Toscano

  DOI：10.1016/j.poly.2011.01.006

  日期：2011.4

  Abstract [D(CH2CH2S)2]M(XCH2CH2Y) 1–8 (M = Ge, Sn; D = O, S; X = Y = S, O and X = S, Y = O) spirocycles were synthesized to analyze the influence of the metal center replacement and the donor atom hardness on the strength of the transannular bond and the hypercoordination phenomena. The compounds were characterized by IR, Raman and NMR (1H, 13C and 119Sn) spectroscopy, E.I. mass spectrometry and elemental

  摘要合成了[D（CH2CH2S）2] M（XCH2CH2Y）1-8（M = Ge，Sn; D = O，S; X = Y = S，O和X = S，Y = O）螺环金属中心置换和施主原子硬度对跨环键强度和超配位现象的影响。通过IR，拉曼和NMR（1H，13C和119Sn）光谱，EI质谱和元素分析对化合物进行表征。通过X射线衍射分析获得了化合物3、4、6-8和Ge（SCH2CH2S）2（9）的分子和晶体结构。它们都因跨环金属配位（M⋯D）而显示出五个配位的中心原子，除4外，它们显示出由两个五元环融合形成环状二氧杂环戊烷单元[O（CH2CH2S） 2] Sn（SCH2CH2O）} 2。