4,6-bis((phenylthio)methyl)thieno[3,4-d]-1,3-dithiol-2-one | 1173657-61-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,6-bis((phenylthio)methyl)thieno[3,4-d]-1,3-dithiol-2-one
• 英文别名: 4,6-Bis(phenylsulfanylmethyl)thieno[3,4-d][1,3]dithiol-2-one；4,6-bis(phenylsulfanylmethyl)thieno[3,4-d][1,3]dithiol-2-one
• CAS: 1173657-61-8
• 化学式: C₁₉H₁₄OS₅
• 分子量: 418.65
• InChiKey: XIYPBDIMIUJYIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,6-bis((phenylthio)methyl)thieno[3,4-d]-1,3-dithiol-2-one 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 以83%的产率得到4-((phenylsulfinyl)methyl)-6-((phenylthio)methyl)thieno[3,4-d]-1,3-dithiol-2-one
  参考文献：
  名称：

  Synthesis of thieno[3,4-d]-1,3-dithiol-2-one derivatives

  摘要：

  A series of mono-substituted and bis-substituted derivatives of thieno [3,4-d]-1,3-dithiol-2-one were prepared through halogenation, chloromethylation, and subsequent nucleophilic substitution reactions. Compounds were characterized by NMR, FT-IR, and HRMS. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.225
• 作为产物：
  描述：

  4,6-bis(chloromethyl)thieno[3,4-d]-1,3-dithiol-2-one 、 sodium thiophenolate 在 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以75%的产率得到4,6-bis((phenylthio)methyl)thieno[3,4-d]-1,3-dithiol-2-one
  参考文献：
  名称：

  Synthesis of thieno[3,4-d]-1,3-dithiol-2-one derivatives

  摘要：

  A series of mono-substituted and bis-substituted derivatives of thieno [3,4-d]-1,3-dithiol-2-one were prepared through halogenation, chloromethylation, and subsequent nucleophilic substitution reactions. Compounds were characterized by NMR, FT-IR, and HRMS. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.225

文献信息

• Synthesis of thieno[3,4-d]-1,3-dithiol-2-one derivatives
  作者：Xin Chen、Ronald L. Elsenbaumer

  DOI：10.1016/j.tetlet.2009.03.225

  日期：2009.7

  A series of mono-substituted and bis-substituted derivatives of thieno [3,4-d]-1,3-dithiol-2-one were prepared through halogenation, chloromethylation, and subsequent nucleophilic substitution reactions. Compounds were characterized by NMR, FT-IR, and HRMS. (C) 2009 Elsevier Ltd. All rights reserved.