3-Butyl-2-methyl-1,3-benzothiazol-3-ium

• 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: 3-Butyl-2-methyl-1,3-benzothiazol-3-ium
• 化学式: C₁₂H₁₆NS
• mdl: MFCD00656938
• 分子量: 206.332
• InChiKey: WUBADEYCUXCRMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-nitro-2-phenylbenzo[d,e]isoquinoline-1,3-dione 、 3-Butyl-2-methyl-1,3-benzothiazol-3-ium 在 吡啶 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 2.0h， 以51%的产率得到4-[(3-butyl-3H-benzothiazole-2-ylidene)methyl]-N-phenyl-1,8-naphthalimide
  参考文献：
  名称：

  Assembly of New Merocyanine Chromophores with a 1,8-Naphthalimide Core by a New Method for the Synthesis of the Methine Function

  摘要：

  介绍了一种在 SN-Ar 反应中使用硝基作为离去基团合成单甲基的新方法。合成了一系列新型美拉尼菁染料，并阐明了它们的光物理特性。最长波长的吸收发生在 519-619 nm 范围内，摩尔吸收率随取代基的不同而变化，范围在 1000-47700 L mol-1 cm-1 之间。这些染料具有很高的化学稳定性和光稳定性。该系列中的一个例子能够区分甲醇和乙醇。在结构上引入一个醌片段会导致明显的分子内电荷转移，从而产生明显的正溶解色度。这些化合物的结构和电子特性已通过密度泛函理论（DFT）和随时间变化的 DFT 进行了研究。

  DOI：

  10.1071/ch15139

文献信息

• DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION
  申请人：Greaves Andrew

  公开号：US20110016642A1

  公开（公告）日：2011-01-27

  The present invention relates to the dyeing of keratin materials using two colorless dye precursors, at least one of which contains a disulfide/thiol unit, said precursors reacting together chemically to form the color in situ. The process according to the invention makes it possible in the context of certain variants to solve the problems caused by the color generated during the process, while at the same time not degrading the efficacy of the coloration, and especially of the lightening effect. The colorations obtained are moreover powerful, chromatic, sparingly selective, and fast with respect to external agents such as sunlight, perspiration and especially shampoo.

  本发明涉及使用两种无色染料前体对角蛋白质材料进行染色，其中至少一种包含二硫键/巯基单元，这些前体在化学上相互反应以在现场形成颜色。根据本发明的方法，在某些变体的背景下，可以解决染色过程中产生的颜色引起的问题，同时不降低染色的功效，特别是减淡效果。所获得的染色色彩强烈、色彩饱和、选择性小、对阳光、汗水和尤其是洗发水等外部因素快速稳定。
• CYANINE COMPOUND, OPTICAL RECORDING MATERIAL UTILIZING THE COMPOUND, AND OPTICAL RECORDING MEDIUM
  申请人：Adeka Corporation

  公开号：EP1826208A1

  公开（公告）日：2007-08-29

  The cyanine compound of the present invention is represented by general formula (I) below and suitable as an optical recording material used in a recording layer of optical recording media on which recording and play-back are conducted with laser beam. The cyanine compound of the present invention particularly exhibits appropriate thermal decomposition behavior to attain sensitivity compatible with high-speed recording. (In the formula, each of ring A and ring B represents an optionally substituted benzene or naphthalene ring; each of R1 and R2 independently represents a C1-4 alkyl group or an optionally substituted benzyl group; at least one of R1 and R2 is an optionally substituted benzyl group; X represents O, S, or NY; each of Y, Y1, and Y2 independently represents a hydrogen atom or a C1-30 organic group; Z represents a hydrogen atom, a halogen atom, or a cyano group; Anm- represents an m-valent anion; m represents an integer of 1 or 2; and p represents a coefficient to keep an electric charge neutral.)

  本发明的氰基化合物由以下通式（I）表示，适用于光学记录介质的记录层中的光 学记录材料，该介质使用激光束进行记录和回放。本发明的氰基化合物尤其具有适当的热分解特性，可达到与高速记录相适应的灵敏度。 (式中：环 A 和环 B 各代表一个任选取代的苯环或萘环；R1 和 R2 各独立地代表一个 C1-4 烷基或一个任选取代的苄基；R1 和 R2 中至少有一个是任选取代的苄基；X 代表 O、S 或 NY；Y、Y1 和 Y2 各自独立地代表氢原子或 C1-30 有机基团；Z 代表氢原子、卤素原子或氰基；Anm- 代表 m 价阴离子；m 代表 1 或 2 的整数；p 代表使电荷保持中性的系数。)
• Cyanine Compound, Optical Recording Material Using the Same and Optical Recording Medium
  申请人：Okada Mitsuhiro

  公开号：US20080138740A1

  公开（公告）日：2008-06-12

  The cyanine compound of the present invention is represented by general formula (I) below and suitable as an optical recording material used in a recording layer of optical recording media on which recording and play-back are conducted with laser beam. The cyanine compound of the present invention particularly exhibits appropriate thermal decomposition behavior to attain sensitivity compatible with high-speed recording. (In the formula, each of ring A and ring B represents an optionally substituted benzene or naphthalene ring; each of R1 and R2 independently represents a C 1-4 alkyl group or an optionally substituted benzyl group; at least one of R1 and R2 is an optionally substituted benzyl group; X represents O, S, or NY; each of Y, Y 1 , and Y 2 independently represents a hydrogen atom or a C 1-30 organic group; Z represents a hydrogen atom, a halogen atom, or a cyano group; An m- represents an m-valent anion; m represents an integer of 1 or 2; and p represents a coefficient to keep an electric charge neutral.)
• US7682773B2
  申请人：——

  公开号：US7682773B2

  公开（公告）日：2010-03-23
• US8034125B2
  申请人：——

  公开号：US8034125B2

  公开（公告）日：2011-10-11