1-benzyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole | 66194-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-benzyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole
• 英文别名: 1-benzyl-5,6-dimethyl-1H-benzotriazole；1-Benzyl-5,6-dimethyl-1H-1,2,3-benzotriazole；1-benzyl-5,6-dimethylbenzotriazole
• CAS: 66194-43-2
• 化学式: C₁₅H₁₅N₃
• 分子量: 237.304
• InChiKey: OELKHJFKLRDFKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-benzyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole 、 苯甲腈 以42%的产率得到
  参考文献：
  名称：

  Katritzky Alan R., Yang Baozhen, Jiang Jinlong, Steel Peter J., J. Org. Chem., 60 (1995) N 1, S 246-249

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1'-carbonyldi(5,6-dimethylbenzotriazole) 生成 1-benzyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole
  参考文献：
  名称：

  1-烷氧基羰基苯并三唑的热脱羧研究

  摘要：

  1-烷氧基羰基苯并三唑在热解过程中会损失二氧化碳；脱羧反应伴随着1-烷基苯并三唑和2-烷基苯并三唑的混合物的形成，在所有情况下，N -1异构体均高于N -2异构体。交叉实验中，加热等摩尔量的1-苄氧基羰基苯并三唑和1-（4-甲基苄氧基羰基）-5,6-二甲基苯并三唑几乎产生了所有交换产物，该实验支持所提出的分子间机理，用于该脱羧反应和形成1-和2-烷基苯并三唑。1-苯氧基羰基苯并三唑未观察到脱羧。

  DOI：

  10.1002/poc.610061007

文献信息

• Benzyne Click Chemistry: Synthesis of Benzotriazoles from Benzynes and Azides
  作者：Feng Shi、Jesse P. Waldo、Yu Chen、Richard C. Larock

  DOI：10.1021/ol800675u

  日期：2008.6.1

  A variety of substituted benzotriazoles have been prepared by the [3 + 2] cycloaddition of azides to benzynes. The reaction scope is quite general, affording a rapid and easy entry to substituted, functionalized benzotriazoles under mild conditions.

  多种取代的苯并三唑已通过叠氮化物与苄的 [3 + 2] 环加成反应制备。反应范围非常广泛，可以在温和的条件下快速轻松地获得取代的、官能化的苯并三唑。
• Nonaqueous electrolyte and nonaqueous secondary battery
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：US10756394B2

  公开（公告）日：2020-08-25

  The purpose of the present invention is to provide a nonaqueous electrolyte that contains acetonitrile having an excellent balance between viscosity and the dielectric constant and a fluorine-containing inorganic lithium salt, wherein the generation of complex cations comprising a transition metal and acetonitrile is suppressed, excellent load characteristics are exhibited, and increases in internal resistance upon repeated charge/discharge cycles are suppressed; a further purpose of the present invention is to provide a nonaqueous secondary battery. The present invention relates to a nonaqueous electrolyte which contains: a nonaqueous solvent comprising acetonitrile; a fluorine-containing inorganic lithium salt; and a specific nitrogenous cyclic compound typified by benzotriazole.

  本发明的目的是提供一种非水电解液，该电解液含有在粘度和介电常数之间具有极佳平衡的乙腈和含氟无机锂盐，其中包含过渡金属和乙腈的复合阳离子的生成受到抑制，显示出极佳的负载特性，并且在重复充放电循环中内阻的增加受到抑制；本发明的另一个目的是提供一种非水二次电池。本发明涉及一种非水电解液，其中包含：由乙腈组成的非水溶剂；含氟无机锂盐；以及以苯并三唑为典型代表的特定含氮环状化合物。
• Development and Application of <i>O</i>-(Trimethylsilyl)aryl Fluorosulfates for the Synthesis of Arynes
  作者：Qiao Chen、Hongmei Yu、Zhaoqing Xu、Li Lin、Xianxing Jiang、Rui Wang

  DOI：10.1021/acs.joc.5b00923

  日期：2015.7.2

  A class of o-(trimethylsilyl)aryl fluorosulfates was synthesized by a concise method and successfully used as aryne precursors for the first time. Different trapping agents such as azides, furans, and acyl acetoacetates could successfully react with the aryne precursors under mild conditions with good to excellent yields.
• Ring-Opening Rearrangements of 2-(Benzotriazol-1-yl) Enamines and a Novel Synthesis of 2,4-Diarylquinazoline
  作者：Alan R. Katritzky、Baozhen Yang、Jinlong Jiang、Peter J. Steel

  DOI：10.1021/jo00106a041

  日期：1995.1

  2-(Benzotriazol-1-yl) enamines (readily available from lithiated 1-(arylmethyl) benzotriazole and nitriles) undergo facile rearrangement into 2,4-diarylquinazolines. A plausible mechanism for this novel rearrangement is proposed and supported.
• Katritzky Alan R., Yang Baozhen, Jiang Jinlong, Steel Peter J., J. Org. Chem., 60 (1995) N 1, S 246-249
  作者：Katritzky Alan R., Yang Baozhen, Jiang Jinlong, Steel Peter J.

  DOI：——

  日期：——