di(2-ethylhexyl)-4-chlorosulfonylphthalate | 1207717-37-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: di(2-ethylhexyl)-4-chlorosulfonylphthalate
• CAS: 1207717-37-0
• 化学式: C₂₄H₃₇ClO₆S
• 分子量: 489.073
• InChiKey: KXOXKNFWDOHJAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.36
• 重原子数：
  32.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  86.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  di(2-ethylhexyl)-4-chlorosulfonylphthalate 在 盐酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 以 水 为溶剂， 反应 12.0h， 以91%的产率得到di(2-ethylhexyl)-4-mercaptophthalate
  参考文献：
  名称：

  Phthalate Plasticizers Covalently Bound to PVC: Plasticization with Suppressed Migration

  摘要：

  The internal plasticization of PVC by displacement of chlorine with phthalate-based thiol additives, that is, the covalent attachment of the plasticizer to the PVC chain, is described for the first time. Using this methodology, a good plasticization efficiency is achieved although flexibility is reduced compared with that of commercial PVC-phthalate systems. However, the migration is completely suppressed. This approach may open new ways to the preparation of flexible PVC with permanent plasticizer effect and zero migration.

  DOI：

  10.1021/ma902740t
• 作为产物：
  描述：

  mono sodium salt of 4-sulfophthalic acid 在 五氯化磷 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 生成 di(2-ethylhexyl)-4-chlorosulfonylphthalate
  参考文献：
  名称：

  Phthalate Plasticizers Covalently Bound to PVC: Plasticization with Suppressed Migration

  摘要：

  The internal plasticization of PVC by displacement of chlorine with phthalate-based thiol additives, that is, the covalent attachment of the plasticizer to the PVC chain, is described for the first time. Using this methodology, a good plasticization efficiency is achieved although flexibility is reduced compared with that of commercial PVC-phthalate systems. However, the migration is completely suppressed. This approach may open new ways to the preparation of flexible PVC with permanent plasticizer effect and zero migration.

  DOI：

  10.1021/ma902740t