| 179990-23-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 179990-23-9
• 化学式: C₁₄H₁₄I₂Sn
• 分子量: 554.784
• InChiKey: VVAXSYXPRILSSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate 以 丙酮 为溶剂， 生成 6,6-diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione
  参考文献：
  名称：

  6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6′-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannazulene]-2,2′-dithione

  摘要：

  The title compounds, [Sn(C(6)H(5))(2)(C(5)H(4)S(5))] and [Sn(C(5)H(4)S(5))(2)], respectively, are of interest because they can be regarded as intermediate in nature between chelates and heterocyclic compounds containing the C(3)S(5) fragment. In contrast with the essentially normal bond lengths and angles within the molecules, the molecular conformations are somewhat unexpected, as are the intermolecular contacts found in the case of the latter compound.

  DOI：

  10.1107/s0108270102007898
• 作为产物：
  描述：

  iodomethane,iodozinc(1+) 、 二苯基二氯化锡 以 四氢呋喃 为溶剂， 反应 3.0h， 以48%的产率得到
  参考文献：
  名称：

  [FeFe]-加氢酶H-簇模拟物具有独特的平面μ-（SCH2）2ER2接头（E = Ge和Sn）

  摘要：

  研究了氢化酶[2Fe-2S]亚簇的类似物，其中硫原子之间的三原子链连接子的中心基团被GeR 2和SnR 2基团取代。这些络合物中的六元FeSCECS环（E = Ge或Sn）采用不寻常的构型，其垂直于Fe-Fe核的近共平面的SCECS原子。计算模型将此结果归结为Me基团与Fe 2（CO）6团簇的轴向羰基的空间相互作用以及GeMe 2和SnMe 2的低扭转应变由于长的C-Ge和C-Sn键而形成的部分。这些配合物的气相光电子能谱显示，电离势向具有显着硫轨道特征的较低能量转移，并且如计算所支持的，主要是金属-金属键合HOMO中的硫特征增加。循环伏安法表明，在不存在酸的情况下，配合物遵循ECE类型的还原机理（E =电子转移，C =化学过程），在存在酸的情况下，催化质子还原。两个环状四核络合物，其特征是两个被CH 2 SnR 2 CH 2桥接的Fe 2 S 2（CO）6核的硫原子，R ＝ Me，Ph，也获得并表征了接头。

  DOI：

  10.1002/chem.201603843

文献信息

• Synthesis, solution and solid-state NMR spectra of methyl 4,6-O-benzylidene-2,3-bis-O-(organostannylmethyl)-α-d-glucopyranosides
  作者：Simon J Garden、William T.A Harrison、R.Alan Howie、Helena Rufino、James L Wardell

  DOI：10.1016/s0022-328x(00)00678-1

  日期：2001.1

  compound from the 119Sn- and 13C-NMR spectra. An X-ray structure determination of 5 indicated the presence of three slightly differing molecular arrangements, and the absence of any intermolecular contacts. Assignments of the individual Sn signals in the solution NMR spectra of 3 and 5 to their attached CH2 groups have been accomplished. The stannacyclic compound, methyl 4,6-O-benzylidene-2,3-bis-O-(2,

  甲基4,6 - O-亚苄基-2,3-双-O-（Ph n Me 3- n SnCH 2）-α-D-吡喃葡萄糖ef=https://www.molaid.com/MS_187149 target="_blank">吡喃葡萄糖苷，（3：n = 3; 4：n = 2; 5：n由甲基4，6 - O-亚苄基-α-d-吡喃吡喃糖苷（6）和Ph n Me 3- n SnCH 2 I制备的＝ 1）在溶液和固态中均含有四个配位锡中心。而溶液中的单个分子排列表示为3 – 5，从119 Sn-和13 C-NMR光谱中获得了每种化合物在固态下几种排列的证据。X射线结构测定值为5表示存在三个略有不同的分子排列，并且不存在任何分子间接触。已经完成了3和5溶液NMR光谱中各个Sn信号与它们相连的CH 2基团的分配。的stannacyclic化合物，甲基4,6- ø -亚苄基-2,3-双- Ö - （2,2-二苯基-2- stannapropylidene）-α-d-D-吡喃葡萄糖苷（7）进行类似制备自6，使用pH2 Sn（CH 2 I）2。
• derivatives
  作者：Philip J. Cox、Simon J. Garden、R.Alan Howie、Olga A. Melvin、James L. Wardell

  DOI：10.1016/0022-328x(96)06141-4

  日期：1996.6

  A family of [6-O-(1,2:3,4-di-O-isopropylidene-alpha-D-galactopyranosyl)methyl]tine species Ph(n)Sn(CH(2)OR)(4-n) (1n = 1-3), Ph(n)Me(3-n)Sn(CH(2)OR) (2n = 0-3) and Bu(3)SnCH(2)OR (3) have been prepared from 1,2:3,4-di-O-isopropylidene-alpha-D-galactopyranose (ROH) and the iodomethyltin compounds Ph(n)Sn(CH2I)(4-n) (n = 1-3), Ph(n)Me(3-n)SnCH(2)I (n = 1-3) and Bu(3)SnCH(2)I. The pyranose rings in these mono-, di- and trisaccharide derivatives, as well as in IPh(n)Sn(CH(2)OR)(3-n) (4n = 0-2) and IPh(n)Me(2-n)Sn(CH(2)OR) (5n = 0, 1), have similar twist-boat conformations in solution. The solution delta(119)Sn NMR values for the series (1n = 1-4) and (4n = 1-3) do not vary linearly with n, The X-ray diffraction study of (4n = 1) at 120 K revealed that only one of the sugar moieties acts as a C,O-bidentate ligand, via its pyranose ring oxygen. The tin centre in solid (4n = 1) is five-coordinate and has a trigonal bipyramidal geometry: the Sn-O and Sn-I bond lengths are 2.759(5) and 2.790(2) Angstrom respectively, with the I-Sn-O valency angle of 173.5(1)degrees. As indicated by the solid state and solution delta(119)Sn values (-177.8 and -130.7 ppm respectively), the solid state structure of (4n = 1) does not survive on dissolution. The two pyranose rings in solid (4n = 1) have similar conformations (intermediate between screw-boat degrees S-5 and the twist-boat forms degrees T-2, with deviations in the direction of the boat-form B-2,B-5). Compound (1n = 3) undergoes transmetallation with PhLi to give LiCH(2)OR, which was trapped as the triphenylgermanium derivative Ph(3)GeCH(2)OR.