1,5-bis-(3-methyl-benzothiazol-2-yl)-pentamethinium; iodide | 17777-43-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1,5-bis-(3-methyl-benzothiazol-2-yl)-pentamethinium; iodide
• 英文别名: 3-methyl-2-[5-(3-methyl-3H-benzothiazol-2-ylidene)-penta-1,3-dienyl]-benzothiazolium; iodide；1,5-Bis-(3-methyl-benzothiazol-2-yl)-pentamethinium; Jodid；2-<5-(N-Methyl-2,3-dihydro-benzothiazol-2-yliden)-penta-1,3-dien-1-yl>-N-methyl-benzothiazolium-iodid (3,3'-Dimethyl-thia-dicarbocyanin-(2,2')-iodid)；Bis-<3-methyl-benzthiazolyl-(2)>pentamethincyanin-iodid；(2E)-3-methyl-2-[(2E,4E)-5-(3-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide
• CAS: 17777-43-4
• 化学式: C₂₁H₁₉N₂S₂*I
• 分子量: 490.432
• InChiKey: YXXMIYAVRSAALQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  60.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,5-bis-(3-methyl-benzothiazol-2-yl)-pentamethinium; iodide 在 N,N-二乙基苯胺 作用下， 生成 2-[5-(3-methyl-3H-benzothiazol-2-ylidene)-penta-1,3-dienyl]-benzothiazole
  参考文献：
  名称：

  Kiprianov,A.I.; Slominskii,Yu.L., Journal of Organic Chemistry USSR (English Translation), 1965, vol. 1, p. 1336 - 1339

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-二氢-3,3-二甲基-2-氧代-3H-吲哚 在 吡啶 、 五氯化磷 作用下， 生成 1,5-bis-(3-methyl-benzothiazol-2-yl)-pentamethinium; iodide
  参考文献：
  名称：

  800.吡啶环的​​新反应

  摘要：

  DOI：

  10.1039/jr9590003988

文献信息

• Supramolecular control of photophysical properties of cyanine dyes
  作者：Tata Venkata S. Rao、Jeffrey B. Huff、Christopher Bieniarz

  DOI：10.1016/s0040-4020(98)00597-3

  日期：1998.9

  intramolecular complexation of cyanine dyes and cyclodextrins with the objective of modifying the photophysical behaviour of the dyes. We demonstrate that dye inclusion complex formation with cyclodextrins serves to inhibit dimer formation as well as enhance photostability of cyanines. We also show that the modification of the physicochemical properties of cyanine dyes by cyclodextrin complexation is a

  我们提出了花青染料和环糊精分子内络合研究的结果，目的是改变染料的光物理行为。我们证明与环糊精的染料包合物形成可以抑制二聚体的形成以及增强花菁的光稳定性。我们还表明，通过环糊精络合对花青染料的理化性质的修饰是高度选择性的，结构依赖性的现象。
• ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS
  申请人：Kalgutkar S. Rajdeep

  公开号：US20060111462A1

  公开（公告）日：2006-05-25

  Compositions are provided that that can be used as an initiator system for free radical polymerization reactions. More specifically, the initiator systems include an electron acceptor and an electron donor. The electron donors are arylsulfinate salts having a cation that contains at least one carbon atom and either a positively charged nitrogen atom or a positively charged phosphorus atom. Methods of polymerization are also provided that can be used to prepare polymeric material with the initiator systems. The initiator systems can be thermal initiator systems, photoinitiator systems, or combinations thereof.

  提供了可用作自由基聚合反应起始剂系统的组合物。更具体地说，该起始剂系统包括一个电子受体和一个电子给体。电子给体是含有至少一个碳原子和一个带正电氮原子或带正电磷原子的阳离子的芳基磺酰盐。还提供了可以使用该起始剂系统制备聚合材料的聚合方法。该起始剂系统可以是热起始剂系统、光引发剂系统或两者的组合。
• Arylsulfinate salts in initiator systems for polymeric reactions
  申请人：Kalgutkar S. Rajdeep

  公开号：US20050070622A1

  公开（公告）日：2005-03-31

  Compositions are provided that that can be used as an initiator system for free radical polymerization reactions. More specifically, the initiator systems include an electron acceptor and an electron donor. The electron donors are arylsulfinate salts having a cation that contains at least one carbon atom and either a positively charged nitrogen atom or a positively charged phosphorus atom. Methods of polymerization are also provided that can be used to prepare polymeric material with the initiator systems. The initiator systems can be thermal initiator systems, photoinitiator systems, or combinations thereof.

  提供了可用作自由基聚合反应的引发剂体系的组合物。更具体地，引发剂体系包括一个电子受体和一个电子给体。电子给体是含有至少一个碳原子和一个带正电荷的氮原子或磷原子的芳基磺酸盐阳离子。还提供了用于制备聚合材料的聚合方法。引发剂体系可以是热引发剂体系、光引发剂体系或两者的组合。
• Arylsulfinate salts in photoinitiator systems for polymerization reactions
  申请人：Kalgutkar S. Rajdeep

  公开号：US20050070624A1

  公开（公告）日：2005-03-31

  Compositions are provided that include an electron donor and a sensitizing compound. More specifically, the electron donor is an arylsulfinate salt. Methods of polymerization are also provided that can be used to prepare polymeric material from a photopolymerizable composition that includes ethylenically unsaturated monomers and a photoinitiator system. The photoinitiator system includes an electron donor and a sensitizing compound.

  提供了包括电子供体和敏化化合物的组合物。更具体地，电子供体是芳基亚磺酸盐。还提供了聚合的方法，可以用于从光聚合组合物中制备聚合材料，该组合物包括乙烯基不饱和单体和光引发剂体系。光引发剂体系包括电子供体和敏化化合物。
• ARYSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS
  申请人：Kalgutkar S. Rajdeep

  公开号：US20070249749A1

  公开（公告）日：2007-10-25

  Compositions are provided that include an electron donor and a sensitizing compound. More specifically, the electron donor is an arylsulfinate salt. Methods of polymerization are also provided that can be used to prepare polymeric material from a photopolymerizable composition that includes ethylenically unsaturated monomers and a photoinitiator system. The photoinitiator system includes an electron donor and a sensitizing compound.

  提供了包括电子给体和感光化合物的复合物。更具体地，电子给体是芳基磺酸盐。还提供了聚合方法，可用于从光聚合可聚合物组成物中制备聚合材料。光引发剂系统包括电子给体和感光化合物。