(4-tert-butyl-2,6-dimesitylphenyl)dimethyltin hydroxide | 1138816-07-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (4-tert-butyl-2,6-dimesitylphenyl)dimethyltin hydroxide
• CAS: 1138816-07-5
• 化学式: C₃₀H₄₀OSn
• 分子量: 535.357
• InChiKey: PDWYSWHNUWVGFE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.57
• 重原子数：
  32.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  (4-tert-butyl-2,6-dimesitylphenyl)trimethylstannane 在 N(CH₂CH₃)3 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 甲苯 为溶剂， 生成 (4-tert-butyl-2,6-dimesitylphenyl)dimethyltin hydroxide 、 bis(4-tert-butyl-2,6-dimesitylphenyl)dimethyl stannoxane
  参考文献：
  名称：

  A sterically congested aryltrimethylstannane – Synthesis, reactivity, transmetalation and CH–π interaction

  摘要：

  The synthesis of a novel sterically congested tetraorganotin compound, (4-tert-butyl-2,6-dimesitylphenyl) trimethylstannane (1), is reported and its reactivity with special focus on transmetalation studied. The reaction of compound 1 with reagents such as HgCl(2), BiCl(3) and HOTf gave (4-tert-butyl-2,6-dimesitylphenyl)dimethyltin chloride (2) and (4-tert-butyl-2,6-dimesitylphenyl)dimethyltin triflate (3), respectively, as a result of selective tin-methyl bond cleavage. Less bulky aryltrimethyltin derivatives react with BiCl(3) to give both tin-methyl and tin-aryl bond cleavage. Hydrolysis of compound 3 proceeds slowly to give bis-(4-tert-butyl-2,6-dimesitylphenyl) dimethyl stannoxane (5) via the intermediate (4-tert-butyl2,6-dimesitylphenyl)dimethyltin hydroxide (4). All terphenyldimethyltin derivatives that were characterized by single crystal X-ray diffraction analysis show C-H center dot center dot center dot pi interactions. Based on these results, the optimum C-H center dot center dot center dot pi distance (C center dot center dot center dot centroid(aryl) distance) is suggested to be in the range 3.4 and 3.5 angstrom. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.04.003