N,N-dimethylthiophene-2-carboselenoamide | 146579-41-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: N,N-dimethylthiophene-2-carboselenoamide
• CAS: 146579-41-1
• 化学式: C₇H₉NSSe
• 分子量: 218.181
• InChiKey: YGLHMGUJEAHEKA-UHFFFAOYSA-N

物化性质

• 沸点：
  263.2±32.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N,N-dimethylthiophene-2-carboselenoamide 在 silver nitrate 、 2,2'-bipyridine 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Cyclopalladated N,N-dimethylthiophene-2- and -3-carboselenoamide derivatives

  摘要：

  N,N-Dimethylthiophene-2- and -3-carboselenoamides, abbreviated as Hats and Hbts, respectively, were easily obtained by the reaction of the corresponding carboxamide with phenyldichlorophosphine selenide. Hats and Hbts reacted with lithium tetrachloropalladate in methanol to give [PdCl(ats)]2 and [PdCl(bts)]2, respectively. Several derivatives of the two were prepared with ligands (L) such as pyridine (py) or tri-n-butylphosphine (PBu3). The new compounds were characterized spectroscopically and the structures of [PdCl(bts)(PBU3)] and [PdCl(ats)(tbp)] (tbp=4-tert-butylpyridine) were determined by X-ray analysis. The former was shown to be a trans-(C,Cl) isomer, while the latter a cis-(C,Cl) one, where C represents the palladated carbon atom. Hats was palladated at position 3 of the thiophene ring and Hbts exclusively at position 2 of the ring. The selenoamide group was coordinated through the selenium atom to form a five-membered palladaselenaheterocycle. The trans influence of a trans donor was reflected in the Pd-Se bonds: 2.4147(8) angstrom (trans to PBU3) in [PdCl(bts)(PBU3)] and 2.359(1) angstrom (trans to a) in [PdCl(ats)(tbp)].

  DOI：

  10.1016/s0020-1693(00)86833-4

文献信息

• Nonoyama, Matsuo; Suzuki, Keinosuke, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1993, vol. 23, p. 29 - 38
  作者：Nonoyama, Matsuo、Suzuki, Keinosuke

  DOI：——

  日期：——