3,3-dibutyl-6-chloro-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine | 1409917-43-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-dibutyl-6-chloro-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
• 英文别名: 3,3-Dibutyl-6-chloro-2,4-dihydrothieno[3,4-b][1,4]dioxepine；3,3-dibutyl-6-chloro-2,4-dihydrothieno[3,4-b][1,4]dioxepine
• CAS: 1409917-43-6
• 化学式: C₁₅H₂₃ClO₂S
• 分子量: 302.865
• InChiKey: JTNUBXHUNHZXSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  46.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-dibutyl-6-chloro-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine 在 四氯化锡 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到3,3,3',3'-tetrabutyl-8-chloro-3,3',4,4'-tetrahydro-2H,2'H-6,6'-bithieno[3,4-b][1,4]dioxepine
  参考文献：
  名称：

  Chain-Growth Polymerization of 2-Chlorothiophenes Promoted by Lewis Acids

  摘要：

  Lewis acids promote the polymerization of several 2-chloroalkylenedioxythiophenes, providing high-molecular-weight conjugated polymers. The proposed mechanism is a cationic chain-growth polymerization, as confirmed by end-capping reactions and a linear correlation of molecular weight with percent conversion. The "living" character of this process was used to prepare new block copolymers.

  DOI：

  10.1021/ja308498h
• 作为产物：
  描述：

  3,3-dibutyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine 在 N-氯代丁二酰亚胺 、 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 为溶剂， 反应 16.5h， 生成 3,3-dibutyl-6-chloro-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
  参考文献：
  名称：

  Chain-Growth Polymerization of 2-Chlorothiophenes Promoted by Lewis Acids

  摘要：

  Lewis acids promote the polymerization of several 2-chloroalkylenedioxythiophenes, providing high-molecular-weight conjugated polymers. The proposed mechanism is a cationic chain-growth polymerization, as confirmed by end-capping reactions and a linear correlation of molecular weight with percent conversion. The "living" character of this process was used to prepare new block copolymers.

  DOI：

  10.1021/ja308498h

文献信息

• Chain-Growth Polymerization of 2-Chlorothiophenes Promoted by Lewis Acids
  作者：Baltasar Bonillo、Timothy M. Swager

  DOI：10.1021/ja308498h

  日期：2012.11.21

  Lewis acids promote the polymerization of several 2-chloroalkylenedioxythiophenes, providing high-molecular-weight conjugated polymers. The proposed mechanism is a cationic chain-growth polymerization, as confirmed by end-capping reactions and a linear correlation of molecular weight with percent conversion. The "living" character of this process was used to prepare new block copolymers.