5,5-dichloro-1-oxa-4,6-dithia-5-stannocane | 56081-57-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: 5,5-dichloro-1-oxa-4,6-dithia-5-stannocane
• 英文别名: 5,5-Dichloro-1,4,6,5-oxadithiastannocane；5,5-dichloro-1,4,6,5-oxadithiastannocane
• CAS: 56081-57-3
• 化学式: C₄H₈Cl₂OS₂Sn
• 分子量: 325.855
• InChiKey: XGEYRPRZXYGHLW-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 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：
  59.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,5-dichloro-1-oxa-4,6-dithia-5-stannocane 、 2-巯基乙醇 在 Et₃N 作用下， 以 二氯甲烷 为溶剂， 以70.3%的产率得到
  参考文献：
  名称：

  跨环相互作用在含有Ge（IV）和Sn（IV）的螺杂环中的影响。比较研究

  摘要：

  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。

  DOI：

  10.1016/j.poly.2011.01.006

文献信息

• Study on the transannular bond formation and hypercoordination in tin and germanium spirometallocanes
  作者：Diego Ocampo-Gutiérrez de Velasco、Rafael Sánchez-Jiménez、Simón Hernández-Ortega、R. Alfredo Toscano、Verónica García-Montalvo

  DOI：10.1016/j.poly.2010.05.006

  日期：2010.8

  D(CH(2)CH(2)S)(2)MSNH(C(6)H(4)) (M = Ge, Sn; D = O, S) spirocycles were synthesized to analyze the influence of the decrease of the radius of the metal and the change of the hardness of donor atom on the strength of the transannular bond and the hypercoordination of group 14 elements. The compounds were characterized by IR, Raman and NMR ((1)H, (13)C and (119)Sn) spectroscopy, El mass spectrometry and elemental analysis. Monocrystal X-ray diffraction analyses were made for the germanium compounds. The germaspirocycles were five-coordinated and had distorted trigonal bipyramid geometry. In contrast with most of the reported analogous germocanes, the transannular bond is stronger when the donor atom is oxygen, rather than sulfur. O(CH(2)CH(2)S)(2)GeSNH(C(6)H(4)) exhibits an intramolecular hydrogen bond formation between the amine group and the transannular oxygen. The presence of this hydrogen bond determines whether the sulfur (O center dot center dot center dot Ge-S) or the nitrogen (S center dot center dot center dot Ge-N) of the five-member ring is the axial atom. According to the (119)Sn chemical shift, both stannospirocycles were five-coordinated and therefore the presence of the transannular interaction in solution could be suggested. (C) 2010 Elsevier Ltd. All rights reserved.
• 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。