1-(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-propan-2-one | 864149-82-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: 1-(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-propan-2-one
• 英文别名: 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)propan-2-one；1-(4,5-dimethyl-1,3-dithiol-2-ylidene)propan-2-one
• CAS: 864149-82-6
• 化学式: C₈H₁₀OS₂
• 分子量: 186.299
• InChiKey: NHOWBPCXSAVAAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-propan-2-one 在 tris-(4-bromophenyl)aminium hexachloroantimonate 、 锌 作用下， 生成 3,4-bis(4,5-dimethyl-1,3-dithiol-2-ylidene)hexane-2,5-dione
  参考文献：
  名称：

  A simple route to novel functionalized tetrathiafulvalene vinylogues

  摘要：

  The synthesis and X-ray structural determination of vinylogous tetrathiafulvalenes (TTFV) bearing functional groups on the central conjugation are reported. An unexpected evolution of the bis hydroxymethyl TTFV leading to a derivative, which acts simultaneously as a diene and a dienophile in a Diels-Alder reaction is also described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.056
• 作为产物：
  描述：

  4,5-dimethyl-2-piperidin-1-yl-1,3-dithiol-2-ylium hexafluorophosphate 在 silica gel 、 lithium diisopropyl amide 作用下， 生成 1-(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-propan-2-one
  参考文献：
  名称：

  A simple route to novel functionalized tetrathiafulvalene vinylogues

  摘要：

  The synthesis and X-ray structural determination of vinylogous tetrathiafulvalenes (TTFV) bearing functional groups on the central conjugation are reported. An unexpected evolution of the bis hydroxymethyl TTFV leading to a derivative, which acts simultaneously as a diene and a dienophile in a Diels-Alder reaction is also described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.056

文献信息

• A simple route to novel functionalized tetrathiafulvalene vinylogues
  作者：Michel Guerro、Dominique Lorcy

  DOI：10.1016/j.tetlet.2005.06.056

  日期：2005.8

  The synthesis and X-ray structural determination of vinylogous tetrathiafulvalenes (TTFV) bearing functional groups on the central conjugation are reported. An unexpected evolution of the bis hydroxymethyl TTFV leading to a derivative, which acts simultaneously as a diene and a dienophile in a Diels-Alder reaction is also described. (c) 2005 Elsevier Ltd. All rights reserved.