5-Methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one | 250788-53-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-Methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one
• 英文别名: 2-Methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one
• CAS: 250788-53-5
• 化学式: C₅H₄OS₄
• 分子量: 208.35
• InChiKey: IORLICQVRZSOCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3-二硫烷-2-甲酸乙酯 、 5-Methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one 在 甲基溴化镁 、 二丁基二氯化锡 、 三甲基铝 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以42%的产率得到3,4-(methylmethylidenedithio)-3',4'-dihydro-2,2',5,5'-tetrathiafulvalene
  参考文献：
  名称：

  10.1109/iwat.2005.1461034

  摘要：

  DOI：

  10.1109/iwat.2005.1461034
• 作为产物：
  描述：

  甲基溴化镁 、 2-Methoxy-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 以13%的产率得到5-Methyl-[1,3]dithiolo[4,5-d][1,3]dithiol-2-one
  参考文献：
  名称：

  Preparation of 4,5-(alkylmethylenedithio)-1,3-dithiole-2-chalcogenones: Building blocks for the mono-alkylated TTF donors

  摘要：

  4,5-(Methoxymethylenedithio)-1,3-dithiole-2-chalcogenones 3 and 4 have been alkylated by using R3Al and RMgX (X = Cl or Br)TiCl4 complex reagent to give the title compounds 1 and 2. Cross-coupling of 1a-d with 5 furnished the mono-alkylated MET derivatives 6a-d, and the ClO4 and PF6 Salts of 6b exhibited metallic conducting behavior for compressed pellets. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01328-3

文献信息

• Development of Organic Metals Based on the Extended TTF Donors by the [sgrave]-Bond Framework
  作者：Jun-Ichi Yamada、Hiroki Akutsu、Shin'Ichi Nakatsuji、Hiroyuki Nishikawa、Isao Ikemoto、Koichi Kikuchi

  DOI：10.1080/10587250108023705

  日期：2001.2.1

  Investigations of the tetrathiafulvalene (TTF) derivatives extended by the sigma -bond frameworks, such as saturated heterocycles (3-8) and alkyl groups (9), have been undertaken to explore new molecular-based organic metals. TTF donors with the periphery extended by the cis-fused dioxane ring (3) and by linkage of a dichalocogenolane or dioxane ring (4-6 or 7) produce metallic radical-cation salts. While radical-cation salts of the methylated TTF donor (9a) are semiconductive, the ClO4 and PF6 salts of the ethylated one (9b) exhibit metallic conducting behavior for compressed pellets. The crystal structure of the metallic (4)(2)AsF6 salt is also presented.
• Preparation of 4,5-(alkylmethylenedithio)-1,3-dithiole-2-chalcogenones: Building blocks for the mono-alkylated TTF donors
  作者：Jun-ichi Yamada、Kuniharu Aoki、Shin'ichi Nakatsuji、Hiroyuki Nishikawa、Isao Ikemoto、Koichi Kikuchi

  DOI：10.1016/s0040-4039(99)01328-3

  日期：1999.9

  4,5-(Methoxymethylenedithio)-1,3-dithiole-2-chalcogenones 3 and 4 have been alkylated by using R3Al and RMgX (X = Cl or Br)TiCl4 complex reagent to give the title compounds 1 and 2. Cross-coupling of 1a-d with 5 furnished the mono-alkylated MET derivatives 6a-d, and the ClO4 and PF6 Salts of 6b exhibited metallic conducting behavior for compressed pellets. (C) 1999 Elsevier Science Ltd. All rights reserved.
• 10.1109/iwat.2005.1461034
  作者：Yamada, Jun-Ichi、Hayashi, Reiji、Akutsu, Hiroki、Nakatsuji, Shin'ichi、Nishikawa, Hiroyuki、Ikemoto, Isao、Kikuchi, Koichi

  DOI：10.1109/iwat.2005.1461034

  日期：——