6,8-dichloro-3,3-bis[(octadecyloxy)methyl]-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine | 1409917-64-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6,8-dichloro-3,3-bis[(octadecyloxy)methyl]-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
• CAS: 1409917-64-1
• 化学式: C₄₅H₈₂Cl₂O₄S
• 分子量: 790.116
• InChiKey: YVPSKXKCPVCFAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.37
• 重原子数：
  52.0
• 可旋转键数：
  38.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6,8-dichloro-3,3-bis[(octadecyloxy)methyl]-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine 在 正丁基锂 、 水 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.5h， 以76%的产率得到6-chloro-3,3-bis[(octadecyloxy)methyl]-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
• 作为产物：
  描述：

  3,3-bis(octadecyloxymethyl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine 在 N-氯代丁二酰亚胺 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 16.0h， 以87%的产率得到6,8-dichloro-3,3-bis[(octadecyloxy)methyl]-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