(4,5-Diacetyl-[1,3]dithiol-2-ylidene)-p-tolyl-ethanethial | 185853-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4,5-Diacetyl-[1,3]dithiol-2-ylidene)-p-tolyl-ethanethial
• 英文别名: 2-(4,5-Diacetyl-1,3-dithiol-2-ylidene)-2-(4-methylphenyl)ethanethial
• CAS: 185853-27-4
• 化学式: C₁₆H₁₄O₂S₃
• 分子量: 334.484
• InChiKey: IXLJAKGYNNZNOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4,5-Diacetyl-[1,3]dithiol-2-ylidene)-p-tolyl-ethanethial 以 xylene 为溶剂， 以60%的产率得到1-{5-Acetyl-2-[(E)-4-(4,5-diacetyl-[1,3]dithiol-2-ylidene)-1,4-di-p-tolyl-but-2-enylidene]-[1,3]dithiol-4-yl}-ethanone
  参考文献：
  名称：

  Polyacetyl-substituted tetrathiafulvalenes and 1,3-dithiolic derivatives from hex-3-yn-2,5-dione

  摘要：

  The cycloaddition of hex-3-yn-2,5-dione onto a pi-CS2 Iron complex 3 and on 3-thioxo-1,2-dithioles affords diacetylated intermediates which can be readily converted into di or tetraacetylated derivatives of the 1,3-dithiole (5,6) and tetrathiafulvalene (2,8) series, some representative electrochemical and structural features of which being also presented. Copyright (C) 1996 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(96)02063-1
• 作为产物：
  描述：

  4-(4-甲基苯基)二硫杂环戊烯-3-硫酮 、 3-己炔-2,5-二酮 以 二氯甲烷 为溶剂， 生成 (4,5-Diacetyl-[1,3]dithiol-2-ylidene)-p-tolyl-ethanethial
  参考文献：
  名称：

  Polyacetyl-substituted tetrathiafulvalenes and 1,3-dithiolic derivatives from hex-3-yn-2,5-dione

  摘要：

  The cycloaddition of hex-3-yn-2,5-dione onto a pi-CS2 Iron complex 3 and on 3-thioxo-1,2-dithioles affords diacetylated intermediates which can be readily converted into di or tetraacetylated derivatives of the 1,3-dithiole (5,6) and tetrathiafulvalene (2,8) series, some representative electrochemical and structural features of which being also presented. Copyright (C) 1996 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(96)02063-1