1-phenyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole | 1373761-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole
• 英文别名: 5,6-dimethyl-1-Ph-1H-1,2,3-benzotriazole；5,6-dimethyl-1-phenyl-1H-benzotriazole；5,6-Dimethyl-1-phenylbenzotriazole
• CAS: 1373761-04-6
• 化学式: C₁₄H₁₃N₃
• 分子量: 223.277
• InChiKey: VGXQNQQOIGTZJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 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-phenyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole 、 二苯基乙炔 在 tris(triphenylphosphine)rhodium(l) chloride 、 silver trifluoromethanesulfonate 作用下， 以 均三甲苯 为溶剂， 反应 12.0h， 以87%的产率得到5,6-dimethyl-1-(2-((E)-1,2-diphenylvinyl)phenyl)-1H-benzo[d][1,2,3]triazole
  参考文献：
  名称：

  Rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles

  摘要：

  描述了一种铑催化的内炔与N-1-苯基苯并三嗪的分子间氢芳基化反应，采用C-H键活化。这一转化提供了一种高立体选择性的内炔氢芳基化的替代方法。根据氘标记实验讨论了反应机制。

  DOI：

  10.1039/c3ob42007h
• 作为产物：
  描述：

  5,6-二甲基-1H-苯并三唑水合物 、 对甲苯磺酸盐二溴苯基碘 在 copper(l) iodide 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以69%的产率得到1-phenyl-5,6-dimethyl-1H-benzo[d][1,2,3]triazole
  参考文献：
  名称：

  在铜化合物存在下用碘鎓盐对苯并三唑进行区域选择性的N 1-或N 2-修饰

  摘要：

  苯并三唑用碘鎓盐[二苯基-和（E）-苯乙烯基苯基碘代甲苯磺酸盐]进行的修饰是在N 1-位置，以K 2 CO 3为碱，CuI为催化剂，在CH 2 Cl 2中进行的，而在存在下进行化学计量的[Cu 2（TMEDA）2（OH）2] Cl 2络合物区域选择性N 2-改性。合成了两种新的基于苯并三唑的Cu I配合物，并通过X射线粉末衍射分析确定了它们的晶体结构。

  DOI：

  10.1016/j.mencom.2018.05.019

文献信息

• Highly Efficient and Simple Catalytic System for the N-Arylation of Some Hindered Aza-Heterocycles in Water
  作者：Chhanda Mukhopadhyay、Pradip Kumar Tapaswi

  DOI：10.1080/00397911.2011.555219

  日期：2012.8.1

  Abstract A highly efficient and simple protocol for the N-arylation of some hindered aza-heterocycles in water has been developed with readily available basic copper carbonate as the catalyst using bis(3,5-dimethyl-1H-pyrazol-1-yl)methane as ligand. This mild catalytic system possesses excellent tolerance for a large variety of functional groups. A total of 11 previously unknown coupling products have

  摘要 以易得的碱式碳酸铜为催化剂，使用双（3,5-二甲基-1H-吡唑-1-基）甲烷，开发了一种高效且简单的方法，用于在水中一些受阻氮杂杂环的 N-芳基化。作为配体。这种温和的催化体系对多种官能团具有极好的耐受性。通过这种方法共合成了 11 种以前未知的偶联产物。图形概要
• Pd/Al 2 O 3 -catalysed regioselective N -1-modification of benzotriazoles using iodonium salts
  作者：Dmitry V. Davydov、Yurii F. Oprunenko、Irina P. Beletskaya

  DOI：10.1016/j.tetlet.2017.10.033

  日期：2017.11

  The Pd/Al2O3-catalysed N-modification of symmetrically substituted benzotriazoles using diaryl-, alkenyl- and ethynyliodonium salts took place regioselectively at the N-1-position of the benzotriazole ring.

  使用二芳基-，烯基-和乙炔基碘鎓盐的对称取代的苯并三唑的Pd / Al 2 O 3催化的N-修饰在苯并三唑环的N -1位区域选择性地发生。
• Curing catalyst for application in powder coatings
  申请人：DSM N.V.

  公开号：EP0395185A1

  公开（公告）日：1990-10-31

  The invention relates to a curing catalyst on the basis of a benzotriazole. The benzotriazole is substituted at a nitrogen atom with an organic group with less than 20 carbon atoms. The catalyst is used in powder coatings on the basis of epoxyfunctional compounds.

  本发明涉及一种基于苯并三唑的固化催化剂。苯并三唑在氮原子上被一个少于 20 个碳原子的有机基团取代。该催化剂可用于环氧功能化合物的粉末涂料。
• NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP3279997A1

  公开（公告）日：2018-02-07

  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。
• Nonaqueous Electrolyte and Nonaqueous Secondary Battery
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：US20180062213A1

  公开（公告）日：2018-03-01

  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.