(E)-3-methyl-2-(2-(N-phenylacetamido)vinyl)benzoxazol-3-ium iodide | 41682-06-8

• 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: (E)-3-methyl-2-(2-(N-phenylacetamido)vinyl)benzoxazol-3-ium iodide
• 英文别名: 2-[2-(N-acetyl-anilino)-vinyl]-3-methyl-benzoxazolium; iodide；2-[2-(N-Acetyl-anilino)-vinyl]-3-methyl-benzoxazolium; Jodid；2-{2-[Acetyl(phenyl)amino]ethenyl}-3-methyl-1,3-benzoxazol-3-ium iodide；N-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide;iodide
• CAS: 41682-06-8
• 化学式: C₁₈H₁₇N₂O₂*I
• 分子量: 420.25
• InChiKey: ORBDGPMMUHECDX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.29
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  37.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-methyl-2-(2-(N-phenylacetamido)vinyl)benzoxazol-3-ium iodide 、 N,N-二乙基对苯二胺 在 吡啶 作用下， 生成 N,N-diethyl-N'-[(3-methyl-3H-benzoxazol-2-yliden)-ethylidene]-p-phenylenediamine; hydriodide
  参考文献：
  名称：

  Van Dormael et al., Bulletin des Societes Chimiques Belges, 1949, vol. 58, p. 477,479, 485

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基苯并唑 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 (E)-3-methyl-2-(2-(N-phenylacetamido)vinyl)benzoxazol-3-ium iodide
  参考文献：
  名称：

  A comparative study of symmetrical and unsymmetrical trimethine cyanine dyes bearing benzoxazolyl and benzothiazolyl groups

  摘要：

  Six symmetrical and unsymmetrical trimethine cyanine dyes bearing benzothiazolyl and benzoxazolyl groups were synthesized. Their linear optical properties were studied. It was found that the variation of hetero atoms play an important role in the spectral properties of the dyes. Sequential replacement of the oxygen atom by the sulfur atom resulted in a change in shade from yellow to purple. In order to understand the relationship between the molecular structures and the spectral properties of these dyes, theoretical calculations were made using the Gaussian programme. Key parameters related to absorption and emission spectra were reported and discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.11.001

文献信息

• AZOLIUM SALTS FOR TREATMENT OF NON-MUSCLE INVASIVE BLADDER CANCER
  申请人：The University of Akron

  公开号：US20200376009A1

  公开（公告）日：2020-12-03

  The present invention provides pharmaceutical compounds for the treatment of high-grade superficial bladder cancer in patent in need thereof. Further described are compositions of azolium salts for use in such treatment.

  本发明提供了一种用于治疗需要高级别表浅膀胱癌的患者的药物化合物。此外，还描述了用于此类治疗的氮杂环盐的组合物。
• Photoreceptor having a photosensitive layer containing an azo compound
  申请人：Konishiroku Photo Industry Co., Ltd.

  公开号：US04692393A1

  公开（公告）日：1987-09-08

  A photoreceptor comprising a support and thereon a photosensitive layer containing an azo compound.

  一种包括支撑物和其上含有偶氮化合物的光敏层的光感受器。
• Azolium salts for treatment of non-muscle invasive bladder cancer
  申请人：The University of Akron

  公开号：US11197873B2

  公开（公告）日：2021-12-14

  The present invention provides pharmaceutical compounds for the treatment of high-grade superficial bladder cancer in patent in need thereof. Further described are compositions of azolium salts for use in such treatment.

  本发明提供了用于治疗有需要的专利中的高级别浅表性膀胱癌的药物化合物。进一步描述了用于此类治疗的唑盐组合物。
• 381. Cyanine dyes from 2 : 3-dihydro-β-quinindene
  作者：A. B. Lal、V. Petrow

  DOI：10.1039/jr9480001895

  日期：——
• Babichev,F.S.; Kibirev,V.K., Journal of general chemistry of the USSR, 1963, vol. 33, p. 3578 - 3584
  作者：Babichev,F.S.、Kibirev,V.K.

  DOI：——

  日期：——