3-(1-benzyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-3-yl)propanenitrile | 736178-15-7

• 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-(1-benzyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-3-yl)propanenitrile
• 英文别名: 3-(1-benzyl-2,2-dioxy-1,3-dihydro-2,1-benzothiazol-3-yl)propanenitrile；3-(1-benzyl-2,2-dioxo-3H-2,1-benzothiazol-3-yl)propanenitrile
• CAS: 736178-15-7
• 化学式: C₁₇H₁₆N₂O₂S
• 分子量: 312.392
• InChiKey: PPYMFIUSMBOKMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(1-benzyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-3-yl)propanenitrile 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 邻二氯苯 为溶剂， 以50%的产率得到(1-Benzyl-2,3-dihydro-1H-indol-2-yl)-acetonitrile
  参考文献：
  名称：

  A new approach for the ortho -substitution of anilines and for the synthesis of indolines

  摘要：

  Intermolecular radical addition of a xanthate to a vinyl sulfanilide is followed by ring closure to the aromatic ring to give a dihydrobenzoisothiazole dioxide structure, which upon heating loses sulfur dioxide to give a 2-substituted aniline; in some examples, the presence of DBU during heating induces the formation of an indoline. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.111
• 作为产物：
  描述：

  苯甲基苯胺 在 过氧化双月桂酰 、 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 3-(1-benzyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-3-yl)propanenitrile
  参考文献：
  名称：

  A new approach for the ortho -substitution of anilines and for the synthesis of indolines

  摘要：

  Intermolecular radical addition of a xanthate to a vinyl sulfanilide is followed by ring closure to the aromatic ring to give a dihydrobenzoisothiazole dioxide structure, which upon heating loses sulfur dioxide to give a 2-substituted aniline; in some examples, the presence of DBU during heating induces the formation of an indoline. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.111

文献信息

• Benzosultams and analogues and their use as fungicides
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US10736321B2

  公开（公告）日：2020-08-11

  The present disclosure relates to fungicidal active compounds, more specifically to benzosultams and analogues thereof, processes and, intermediates for their preparation and use thereof as fungicidal active compound, particularly in the form of fungicide compositions. The present disclosure also relates to methods for the control of phytopathogenic fungi of plants using these compounds or compositions comprising thereof.

  本公开涉及杀真菌活性化合物，更具体地说，涉及苯并磺胺及其类似物、制备它们的工艺和中间体以及将其用作杀真菌活性化合物，特别是以杀真菌剂组合物的形式使用。本公开还涉及使用这些化合物或包含这些化合物的组合物控制植物的植物病原真菌的方法。
• BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US20190335753A1

  公开（公告）日：2019-11-07

  The present disclosure relates to fungicidal active compounds, more specifically to benzosultams and analogues thereof, processes and, intermediates for their preparation and use thereof as fungicidal active compound, particularly in the form of fungicide compositions. The present disclosure also relates to methods for the control of phytopathogenic fungi of plants using these compounds or compositions comprising thereof.
• A new approach for the ortho -substitution of anilines and for the synthesis of indolines
  作者：Cécile Moutrille、Samir Z. Zard

  DOI：10.1016/j.tetlet.2004.04.111

  日期：2004.6

  Intermolecular radical addition of a xanthate to a vinyl sulfanilide is followed by ring closure to the aromatic ring to give a dihydrobenzoisothiazole dioxide structure, which upon heating loses sulfur dioxide to give a 2-substituted aniline; in some examples, the presence of DBU during heating induces the formation of an indoline. (C) 2004 Elsevier Ltd. All rights reserved.