1,6-di(10H-phenothiazin-10-yl)hexane | 222168-02-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 1,6-di(10H-phenothiazin-10-yl)hexane
• 英文别名: 1,6-Di(10H-10-phenothiazinyl)hexane；10-(6-phenothiazin-10-ylhexyl)phenothiazine
• CAS: 222168-02-7
• 化学式: C₃₀H₂₈N₂S₂
• 分子量: 480.698
• InChiKey: OTTAVEXFUXIEBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,6-di(10H-phenothiazin-10-yl)hexane 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以81.8%的产率得到1,6-bis(3,7-dibromo-10H-phenothiazin-10-yl)hexane
  参考文献：
  名称：

  A pair of conjoined donor–acceptor butterflies as promising solution-processable aggregation-enhanced emission FR/NIR EL emitters

  摘要：

  第一份关于高效溶液处理的FR/NIR AIE/AEE EL材料和器件的报告，分别具有659 nm和683 nm的发光。

  DOI：

  10.1039/c7tc04171c
• 作为产物：
  描述：

  1,6-二溴己烷 、 吩噻嗪 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以60.7%的产率得到1,6-di(10H-phenothiazin-10-yl)hexane
  参考文献：
  名称：

  A pair of conjoined donor–acceptor butterflies as promising solution-processable aggregation-enhanced emission FR/NIR EL emitters

  摘要：

  第一份关于高效溶液处理的FR/NIR AIE/AEE EL材料和器件的报告，分别具有659 nm和683 nm的发光。

  DOI：

  10.1039/c7tc04171c

文献信息

• Structure elucidation and DFT-study on substrate-selective formation of chalcones containing ferrocene and phenothiazine units. Study on ferrocenes, Part 17
  作者：Tamás Lovász、György Túrós、Luiza Găină、Antal Csámpai、Dávid Frigyes、Balázs Fábián、Ioan A. Silberg、Pál Sohár

  DOI：10.1016/j.molstruc.2005.04.037

  日期：2005.9

  of the corresponding diacetyl-substituted precursor was interpreted by the electron-releasing effect of the ferrocenyl- or phenothiazinyl group present in the β position of the enone subunit. The structures of the novel products were evidenced by IR, 1 H and 13 C NMR spectroscopy including 2D-COSY, 2D-HSQC and 2D-HMBC measurements.

  摘要 通过1-酰基-/1,1'-二酰基二茂铁（酰基甲酰基或乙酰基）与3-甲酰基-和3,7-二乙酰吩噻嗪的碱催化缩合反应，制备了一系列新型单-和双-查耳酮。单查耳酮中间体的烯醇化物阴离子相对于相应的双乙酰取代前体的烯醇化物的反应性增强，可以通过存在于烯酮亚基 β 位置的二茂铁基或吩噻嗪基的电子释放效应来解释. 新产品的结构由 IR、1 H 和 13 C NMR 光谱证实，包括 2D-COSY、2D-HSQC 和 2D-​​HMBC 测量。
• Azine-based dimeric charge transport materials
  申请人：——

  公开号：US20040265717A1

  公开（公告）日：2004-12-30

  Improved organophotoreceptor comprises an electrically conductive substrate and a photoconductive element on the electrically conductive substrate, the photoconductive element comprising: (a) a charge transport material having the formula 1 where R 1 , R 2 , R 3 , and R 4 comprise, each independently, an alkyl group, an alkenyl group, an aromatic group, a heterocyclic group, or a part of a ring group; X and X′ comprise, each independently, an aromatic group; Y and Y′ comprise, each independently, a (disubstituted)methylene group; and Z is a linking group; (b) a charge generating compound; and (c) an electrically conductive substrate on which said charge transport material and said charge generating compound are located. Corresponding electrophotographic apparatuses and imaging methods are also described.

  改进的有机光感受器包括一个电导基底和位于电导基底上的光电导元件，所述光电导元件包括： (a) 具有下列结构式1的电荷传输材料： 其中，R1、R2、R3和R4分别独立地包括烷基、烯基、芳香基、杂环基或环基的一部分； X和X'分别独立地包括芳香基； Y和Y'分别独立地包括(二取代)亚甲基基团； Z是一个连接基团； (b) 一个电荷生成化合物；以及 (c) 位于所述电导基底上的所述电荷传输材料和所述电荷生成化合物。 还描述了相应的电子照相设备和成像方法。
• Organophotoreceptors with azine-based compounds
  申请人：Samsung Electronics Co., Ltd.

  公开号：EP1473599A1

  公开（公告）日：2004-11-03

  The present invention provides organophotoreceptors comprising an electrically conductive substrate and a photoconductive element on the electrically conductive substrate, the photoconductive element comprising: a) a charge transport material having the formula,    where R comprises a hydrogen, an alkyl group, an alkenyl group, a heterocyclic group, or an aromatic group; X comprises an arylamine group; and Y comprises a 9-fluorenylidene group having at least a solubilizing substituent; and (b) a charge generating compound. Corresponding electrophotographic apparatuses, imaging methods, and charge transport materials are also described.

  本发明提供了包括电导基板和位于电导基板上的光电导元件的有机光感受器，其中光电导元件包括： a) 具有以下结构的电荷传输材料，其中R包括氢、烷基、烯基、杂环基或芳香基；X包括芳胺基；Y包括至少具有一个增溶取代基的9-芴亚甲基基团；以及 b) 电荷生成化合物。同时还描述了相应的电子照相设备、成像方法和电荷传输材料。
• Organophotoreceptor with a charge transport material having two (9-fluorenylidene) malononitrile groups
  申请人：Samsung Electronics Co., Ltd.

  公开号：EP1452925A1

  公开（公告）日：2004-09-01

  The present invention provides an organophotoreceptor comprising an electrically conductive substrate and a photoconductive element on the electrically conductive substrate, the photoconductive element comprising: (a) a charge transport material having the formula         X―Z―X'    where X and X' are, each independently, a (9-fluorenylidene)malononitrile group, and Z is a linking group having the formula -(CH2)m-, branched or linear, where m is an integer between 1 and 30, inclusive, and one or more of the methylene groups may be replaced by O, S, C=O, Si=O, S(=O)2, P(=O)2, an aromatic group, a heterocyclic group, an aliphatic cyclic group, a Si(R1)(R2) group, a BR3 group, a NR4 group, a CHR5 group, or a CR6R7 group where R1, R2, R3, R4, R5, R6, and R7 are, each independently, H, halogen, hydroxyl, thiol, an alkoxy group, an alkyl group, an alkenyl group, an aromatic group, a heterocyclic group, or a part of a cyclic ring; and (b) a charge generating compound. Corresponding electrophotographic apparatuses and imaging methods are described.

  本发明提供了一种有机光感受器，包括具有电导底板和位于电导底板上的光电元件，所述光电元件包括：(a) 具有以下结构式的电荷传输材料X-Z-X'，其中X和X'各自独立地为(9-芴基亚甲基)马隆腈基团，Z为具有以下结构式的连接基-(CH2)m-，其中m为1到30之间的整数，包括1和30，并且一个或多个亚甲基基团可以被O、S、C=O、Si=O、S(=O)2、P(=O)2、芳香族基、杂环基、脂环基、Si(R1)(R2)基、BR3基、NR4基、CHR5基或CR6R7基取代；以及(b) 电荷生成化合物。描述了相应的电子照相设备和成像方法。
• On the microwave-assisted synthesis of acylphenothiazine derivatives — Experiment versus theory synergism
  作者：Luiza Gaina、Dan Porumb、Ioan Silaghi-Dumitrescu、Castelia Cristea、Luminita Silaghi-Dumitrescu

  DOI：10.1139/v09-163

  日期：2010.1

  10H-Phenothiazine-3-carbaldehyde derivatives were obtained in moderate yields by the Duff formylation reaction, and 10-acetyl-phenothiazine derivatives were obtained in excellent yields by acetylating phenothiazine derivatives with acetic anhydride. A theoretical explanation for the chemoselectivity and regioselectivity of these acylation reactions applied to phenothiazine substrates was attempted by molecular-modeling

  描述了一系列酰基吩噻嗪衍生物的微波辅助合成。通过 Duff 甲酰化反应以中等产率获得 10 H-吩噻嗪-3-甲醛衍生物，通过用乙酸酐乙酰化吩噻嗪衍生物以优异的产率获得 10-乙酰-吩噻嗪衍生物。通过基于分子力学、半经验和 DFT 计算的分子建模分析，试图对这些应用于吩噻嗪底物的酰化反应的化学选择性和区域选择性进行理论解释。