1,8-Dimethoxy-9H-thioxanthen-9-ol | 871116-45-9

• 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: 1,8-Dimethoxy-9H-thioxanthen-9-ol
• CAS: 871116-45-9
• 化学式: C₁₅H₁₄O₃S
• 分子量: 274.34
• InChiKey: WDIAOTDZUOGYLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.25
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,8-dimethoxythioxanthone 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以94%的产率得到1,8-Dimethoxy-9H-thioxanthen-9-ol
  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