2-(trimethylstannyl)-3,6-dimethylthieno[3,2-b]thiophene | 856254-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 英文名称: 2-(trimethylstannyl)-3,6-dimethylthieno[3,2-b]thiophene
• CAS: 856254-94-9
• 化学式: C₁₁H₁₆S₂Sn
• 分子量: 331.09
• InChiKey: KUBYONCFWCRWRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  3,6-dimethylthieno[3,2-b]thiophene 、 三甲基氯化锡 在 n-butyllithium 作用下， 以 正己烷 为溶剂， 以76%的产率得到(3,6-dimethylthieno[3,2-b]thiophene-2,5-diyl)bis(trimethylstannane)
  参考文献：
  名称：

  Synthesis of iron thienyl complexes

  摘要：

  Dimetallation of thiophene (TH2), bithiophene (BTH2) and 3,6-dimethyl[3,2-b]thienothiophene (TTH2) using a slight excess of butyl lithium, followed by the addition of [FeCp(CO)(2)I], resulted in the formation of [2,5-{FeCP(CO)(2)}(2)T], 1 and [2-{FeCp (CO)(2)} T]. The analogous reaction with bithiophene as precursor afforded similar products [2,2'-{FeCp(CO)(2)}(2)BT] 2 and [2-{FeCp (CO)(2)} BTH] 3. In addition to the expected mono- ([2-{FeCP(CO)(2)}-TTH] 4) and binuclear ([2,2'-{FeCP(CO)(2)}(2)-TT] 5) products, dimetallation of 3,6-dimethyl[3,2-b]thienothiophene and the subsequent reaction with [FeCp(CO)21] yielded carbonyl inserted mono-([2-{FeCP(CO)(2)}C(O)-{TT}(2)H] 6) and binuclear ([2-{FeCP(CO)(2)}C(O)-{TT}(2)-2'-{FeCp(CO)(2)}] 7) carbon-carbon coupled products. The precursor [2,7-{SnMe3}(2)-TT] (8) was prepared and reacted with [FeCp(CO)(PEt3)I] in the presence of a palladium catalyst to afford [2- FeCp(CO)(PEt3) C(O)-{TT}(2)-2'-{SnMe3}] 10. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.03.022