| 1243255-93-7

• CAS: 1243255-93-7
• 化学式: C₁₈H₁₃BrS₃Sn
• 分子量: 524.113
• InChiKey: GXBCJTARHKLRCJ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 氢溴酸 、 potassium bromide 以 苯 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dibenzostannocines [{S(C6H4S)2}Sn]

  摘要：

  Treatment of Ph2SnCl2 with 5(C6H4SH)(2) in benzene leaded to the formation of HS(C6H4S)(2))SnPhCl] (1); the same reaction with 1,4-diazabicyclo-[2,2,2]-octane leaded [(5(C6H4S)(2))SnPh2] (4). The compounds [{S(C6H4S)(2)}SnPhHal] (Hal = Br, 2; 1, 3) have been synthesized by halogen exchange from 1 and the corresponding potassium halide. The compound [{S(C6H4S)(2)}SnCl2] (5) was obtained from S(C6H4SH)(2) and SnCl4. The reaction of 1 with NaS2CNEt2 center dot 3H(2)O yielded [{S(C6H4S)(2))SnPh{S2CNEt2)] (6). X-ray structure determinations of dibenzostannocines 1-6 revealed that the tin atom acts as an acceptor atom displaying an intramolecular transannular interaction with the sulfur (thioether-like) atom. The local geometry of the Sn atom in the compounds 1-5 is described as distorted trigonal bipyramidal with a TBP character spanning from 81% to 73%. In 6 the tin atom is six-coordinate with a distorted octahedral geometry. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.04.027