3-(4-乙烯基苄基)-3H-苯并噻唑-2-酮 | 874349-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 3-(4-乙烯基苄基)-3H-苯并噻唑-2-酮
• 英文名称: 3-(4-vinylbenzyl)-3H-benzothiazol-2-one
• 英文别名: 3-[(4-Ethenylphenyl)methyl]-1,3-benzothiazol-2-one
• CAS: 874349-82-3
• 化学式: C₁₆H₁₃NOS
• 分子量: 267.351
• InChiKey: WEFHUJBUPCYDQS-UHFFFAOYSA-N

物化性质

• 沸点：
  451.4±48.0 °C(Predicted)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-乙烯基苄基)-3H-苯并噻唑-2-酮 在 氢氧化钾 、 水 作用下， 以 甲醇 为溶剂， 反应 10.0h， 以55%的产率得到N-[(4-ethenylphenyl)methyl]-2-[[2-[(4-ethenylphenyl)methylamino]phenyl]disulfanyl]aniline
  参考文献：
  名称：

  Two Polymerizable Derivatives of 2,2‘-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid)

  摘要：

  A versatile strategy for the synthesis of polymerizable derivatives of the redox-active indicator dye 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) is reported. Two products are shown to illustrate how the final step in the synthetic strategy can be used to alter the physical properties of the product. Both products were characterized spectroscopically and electrochemically. The hydrophilic monomer (sABTS) was polymerized, and the utility of this polymer (polyABTS) is demonstrated in the context of bioelectrocatalysis.

  DOI：

  10.1021/ol0513443
• 作为产物：
  描述：

  2-羟基苯并噻唑 、 4-氯甲基苯乙烯 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(4-乙烯基苄基)-3H-苯并噻唑-2-酮
  参考文献：
  名称：

  Redox-active polymers and their applications

  摘要：

  本发明提供了一种单体，其结构包括：其中R1和/或R1'从MeO、EtO、COF3、SO4H、SO3-、SO3H、H、CHNO4S2F3、C5H4N2O6S2F6、C10H10N4S2、CH3、n-Bu、Cl、NH2、EtN、Br、烷基、醚、酯、磺酸盐、铵盐、羧酸盐、膦酸盐及其任意组合中选择，R2和/或R2'从EtO、SO3H、H、C10H10N4S2、CH3、Cl、C6H14N2S及其任意组合中选择，R3和/或R3'从CH3、Cl、H及其任意组合中选择，R4和/或R4'从CH3、H、C2H5、C4H9、C6H5、C8H17、C2H5S、C3H7S、C4H8Br、C10H23N、C20H21N2、C18H25N2、C21H23N2、C31H29N2O2、C22H25N4、C20H25N2、C3H7OS及其任意组合中选择。

  公开号：

  US07838687B2

文献信息

• Redox-active polymers and their applications
  申请人：Brown University

  公开号：US07838687B2

  公开（公告）日：2010-11-23

  The present invention provides a monomer comprising the structure: wherein R1 and/or R1′ are selected from the group consisting of MeO, EtO, COF3, SO4H, SO3−, SO3H, H, CHNO4S2F3, C5H4N2O6S2F6, C10H10N4S2, CH3, n-Bu, Cl, NH2, EtN, Br, alkyl, ether, ester, sulfonate, ammonium, carboxylate, phosphonate and any combination thereof, R2 and/or R2′, are selected from the group consisting of EtO, SO3H, H, C10H10N4S2, CH3, Cl, C6H14N2S and any combination thereof, R3 and/or R3′ are selected from the group consisting of CH3, Cl, H and any combination thereof, and R4 and/or R4′ are selected from the group consisting of CH3, H, C2H5, C4H9, C6H5, C8H17, C2H5S, C3H7S, C4H8Br, C10H23N, C20H21N2, C18H25N2, C21H23N2, C31H29N2O2, C22H25N4, C20H25N2, C3H7OS, and any combination thereof.

  本发明提供了一种单体，其结构包括：其中R1和/或R1'从MeO、EtO、COF3、SO4H、SO3-、SO3H、H、CHNO4S2F3、C5H4N2O6S2F6、C10H10N4S2、CH3、n-Bu、Cl、NH2、EtN、Br、烷基、醚、酯、磺酸盐、铵盐、羧酸盐、膦酸盐及其任意组合中选择，R2和/或R2'从EtO、SO3H、H、C10H10N4S2、CH3、Cl、C6H14N2S及其任意组合中选择，R3和/或R3'从CH3、Cl、H及其任意组合中选择，R4和/或R4'从CH3、H、C2H5、C4H9、C6H5、C8H17、C2H5S、C3H7S、C4H8Br、C10H23N、C20H21N2、C18H25N2、C21H23N2、C31H29N2O2、C22H25N4、C20H25N2、C3H7OS及其任意组合中选择。
• Two Polymerizable Derivatives of 2,2‘-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid)
  作者：Jiangfeng Fei、Amit Basu、Fengtian Xue、G. Tayhas R. Palmore

  DOI：10.1021/ol0513443

  日期：2006.1.1

  A versatile strategy for the synthesis of polymerizable derivatives of the redox-active indicator dye 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) is reported. Two products are shown to illustrate how the final step in the synthetic strategy can be used to alter the physical properties of the product. Both products were characterized spectroscopically and electrochemically. The hydrophilic monomer (sABTS) was polymerized, and the utility of this polymer (polyABTS) is demonstrated in the context of bioelectrocatalysis.