bis[2-(iododimethylstannyl)ethyl]phenylphosphine oxide | 673502-01-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis[2-(iododimethylstannyl)ethyl]phenylphosphine oxide
• 英文别名: Bis{2-[iodo(dimethyl)stannyl]ethyl}(oxo)phenyl-lambda~5~-phosphane；iodo-[2-[2-[iodo(dimethyl)stannyl]ethyl-phenylphosphoryl]ethyl]-dimethylstannane
• CAS: 673502-01-7
• 化学式: C₁₄H₂₅I₂OPSn₂
• 分子量: 731.555
• InChiKey: WVBOOOINGXJXCM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.96
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  bis[2-(chlorodimethylstannyl)ethyl]phenylphosphine oxide 、 sodium iodide 以 丙酮 为溶剂， 生成 bis[2-(iododimethylstannyl)ethyl]phenylphosphine oxide
  参考文献：
  名称：

  Further studies of [ω-(haloalkylstannyl)alkyl]phosphine oxides. Structures of bis[2-(bromodimethylstannyl)ethyl]phenylphosphine oxide and t-butyl[3-(iododimethylstannyl)propyl]phenylphosphine oxide

  摘要：

  The crystal structures of bis[2-(bromodimethylstannyl)ethyl]phenylphosphine oxide 3 (X = Br), and t-butyl[3-(iododimethylstannyl)propyl]phenylphosphine oxide 7 (X = 1), have been determined. Compound 7 (X = 1), grown from EtOH solution, is a chelated complex as a consequence of an intramolecular Sn-O interaction and hence contrasts with the previously reported [3(iododimethylstannyl)propyl]diphenylphosphine oxide, grown from alcohol media solution, which has an intermolecular Sn-O linked chain structure. Molecules of 7 (X = 1) are linked into double chains via C-H-I and C-H-pi interactions. Compound 3 (X = Br), isostructural with previously reported 3 (X = Cl) obtained from CH2Cl2 solution, contains two distinct trigonal bipyramidal tin centres. One Sn centre is intramolecularly bound to the O, i.e., one PhP(O)CH2CH2 fragment is acting as a C,O-chelating unit, while the other Sn centre is weakly bonded to a Br ligand from another molecule to set up zig zag chains of molecules. Intermolecular interactions, C-H-Br and C-H-pi, create a double layer of molecules. Detailed H-1 NMR spectra of 3 are reported. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00470-4

文献信息

• Further studies of [ω-(haloalkylstannyl)alkyl]phosphine oxides. Structures of bis[2-(bromodimethylstannyl)ethyl]phenylphosphine oxide and t-butyl[3-(iododimethylstannyl)propyl]phenylphosphine oxide
  作者：William T.A. Harrison、R.Alan Howie、Marcel Jaspars、Solange M.S.V. Wardell、James L. Wardell

  DOI：10.1016/s0277-5387(03)00470-4

  日期：2003.11

  The crystal structures of bis[2-(bromodimethylstannyl)ethyl]phenylphosphine oxide 3 (X = Br), and t-butyl[3-(iododimethylstannyl)propyl]phenylphosphine oxide 7 (X = 1), have been determined. Compound 7 (X = 1), grown from EtOH solution, is a chelated complex as a consequence of an intramolecular Sn-O interaction and hence contrasts with the previously reported [3(iododimethylstannyl)propyl]diphenylphosphine oxide, grown from alcohol media solution, which has an intermolecular Sn-O linked chain structure. Molecules of 7 (X = 1) are linked into double chains via C-H-I and C-H-pi interactions. Compound 3 (X = Br), isostructural with previously reported 3 (X = Cl) obtained from CH2Cl2 solution, contains two distinct trigonal bipyramidal tin centres. One Sn centre is intramolecularly bound to the O, i.e., one PhP(O)CH2CH2 fragment is acting as a C,O-chelating unit, while the other Sn centre is weakly bonded to a Br ligand from another molecule to set up zig zag chains of molecules. Intermolecular interactions, C-H-Br and C-H-pi, create a double layer of molecules. Detailed H-1 NMR spectra of 3 are reported. (C) 2003 Elsevier Ltd. All rights reserved.