1-(4-methyl-3-phenyl-2-selanylidene-1,3-thiazol-5-yl)ethanone | 252010-22-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-methyl-3-phenyl-2-selanylidene-1,3-thiazol-5-yl)ethanone
• CAS: 252010-22-3
• 化学式: C₁₂H₁₁NOSSe
• 分子量: 296.251
• InChiKey: XCTAIFZDRRSYAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  22.0
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(4-methyl-3-phenyl-2-selanylidene-1,3-thiazol-5-yl)ethanone 在 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 0.5h， 生成 1-[(2E)-2-(5-acetyl-4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-4-methyl-3-phenyl-1,3-thiazol-5-yl]ethanone
  参考文献：
  名称：

  Chemical and Electrochemical Investigations on Thiazolium Salts: a Route to Powerful Donors in the Dithiadiazafulvalene Series.

  摘要：

  Thiazolium salts have been investigated, chemically and electrochemically, in order to access to the redox properties of dithiadiazafulvalenes (DTDAF). As these donor molecules are oxygen-sensitive, it is more advisable to isolate them in their oxidized form as dicationic salts. Starting from a tetrathiazolium cation including two precursors groups, linked together with a conjugated spacer, a bis-DTDAF was formed and its electrochemical behavior studied.

  DOI：

  10.3891/acta.chem.scand.53-0861
• 作为产物：
  描述：

  乙酮,1-(2,3-二氢-4-甲基-3-苯基-2-硫代-5-噻唑基)- 在 selenium 、 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 乙醇 、 氯仿 、 乙腈 为溶剂， 反应 13.0h， 生成 1-(4-methyl-3-phenyl-2-selanylidene-1,3-thiazol-5-yl)ethanone
  参考文献：
  名称：

  Chemical and Electrochemical Investigations on Thiazolium Salts: a Route to Powerful Donors in the Dithiadiazafulvalene Series.

  摘要：

  Thiazolium salts have been investigated, chemically and electrochemically, in order to access to the redox properties of dithiadiazafulvalenes (DTDAF). As these donor molecules are oxygen-sensitive, it is more advisable to isolate them in their oxidized form as dicationic salts. Starting from a tetrathiazolium cation including two precursors groups, linked together with a conjugated spacer, a bis-DTDAF was formed and its electrochemical behavior studied.

  DOI：

  10.3891/acta.chem.scand.53-0861