9-((1,8-dimethoxy-9H-thioxanthen-9-yl)methylene)-1,8-dimethoxy-9H-thioxanthene | 871116-48-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 9-((1,8-dimethoxy-9H-thioxanthen-9-yl)methylene)-1,8-dimethoxy-9H-thioxanthene
• CAS: 871116-48-2
• 化学式: C₃₁H₂₆O₄S₂
• 分子量: 526.677
• InChiKey: WTPVRMHCHLSBRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.91
• 重原子数：
  37.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  9-((1,8-dimethoxy-9H-thioxanthen-9-yl)methylene)-1,8-dimethoxy-9H-thioxanthene 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 反应 2.0h， 以70%的产率得到
  参考文献：
  名称：

  Synthesis and Structure of 1,8-Dimethoxy-10-methyl-9-methylene-9H-thioxanthenium Salt—Possibility of Hypervalent Bonding Through O─C─O (?)

  摘要：

  1.8-dimethoxy-10-methylene-9H-thioxanthenium salt (4) was prepared and the structure was determined by X-ray analysis to show the bond length between O-C is 2.80 A. This is too long to effect a hypervalent bonding. Bis[(1.8-dimethoxy) thioxanthylidene]allene (5) was prepared to be a symmetric compound in solution. Methylation of 5 with Meerwein reagent afforded S-monomethylated product (6) in solution and 6 gradually decomposed to C (or S)-monoprotonated allene (7), which was separately prepared as stable compound.

  DOI：

  10.1080/10426500590912295
• 作为产物：
  描述：

  1,8-dimethoxythioxanthone 在 盐酸 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 1.0h， 生成 9-((1,8-dimethoxy-9H-thioxanthen-9-yl)methylene)-1,8-dimethoxy-9H-thioxanthene
  参考文献：
  名称：

  Synthesis and Structure of 1,8-Dimethoxy-10-methyl-9-methylene-9H-thioxanthenium Salt—Possibility of Hypervalent Bonding Through O─C─O (?)

  摘要：

  1.8-dimethoxy-10-methylene-9H-thioxanthenium salt (4) was prepared and the structure was determined by X-ray analysis to show the bond length between O-C is 2.80 A. This is too long to effect a hypervalent bonding. Bis[(1.8-dimethoxy) thioxanthylidene]allene (5) was prepared to be a symmetric compound in solution. Methylation of 5 with Meerwein reagent afforded S-monomethylated product (6) in solution and 6 gradually decomposed to C (or S)-monoprotonated allene (7), which was separately prepared as stable compound.

  DOI：

  10.1080/10426500590912295