3,4-Dimethyl-5-phenyl-1,2,4-triazol | 103095-67-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,4-Dimethyl-5-phenyl-1,2,4-triazol
• 英文别名: 3,4-Dimethyl-5-phenyl-1,2,4-triazole
• CAS: 103095-67-6
• 化学式: C₁₀H₁₁N₃
• 分子量: 173.217
• InChiKey: IAVFEAKBMKTNGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• 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：

  3,4-Dimethyl-5-phenyl-1,2,4-triazol 、 3-溴丙烯 在 四甲基乙二胺 、 仲丁基锂 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 0.5h， 以79%的产率得到3-but-3-enyl-4-methyl-5-phenyl-4H-[1,2,4]triazole
  参考文献：
  名称：

  3-芳基-5-甲基4-取代[1,2,4]三唑的合成

  摘要：

  摘要 用草酰氯处理 N 取代的乙酰胺会生成亚氨基酰氯，它很容易与芳基酰肼反应。环化后，可以很容易地以中等至良好的收率获得三唑。5-甲基三唑可以通过α-锂化和随后与亲电子试剂的反应进一步功能化。

  DOI：

  10.1080/00397910600638994
• 作为产物：
  描述：

  N-甲基乙酰胺 在 吡啶 、 氯仿 、 三氯氧磷 作用下， 生成 3,4-Dimethyl-5-phenyl-1,2,4-triazol
  参考文献：
  名称：

  Schaft

  摘要：

  公开号：

  US01796403A1

文献信息

• [EN] FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF<br/>[FR] COMPOSÉS À CYCLES CONDENSÉS, COMPOSITION PHARMACEUTIQUE ET UTILISATIONS ASSOCIÉES
  申请人：SHANGHAI DE NOVO PHARMATECH CO LTD

  公开号：WO2016131380A1

  公开（公告）日：2016-08-25

  This disclosure is related to a fused-ring compound of formula (I) and/or a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the fused ring compound of formula (I) and/or a pharmaceutically acceptable salt thereof, preparation methods thereof, and use thereof in modulating activity of indoleamine 2, 3-dioxygenase (IDO) and/or tryptophan 2, 3-dioxygenase (TDO). This disclosure further provides methods of treating IDO and/or TDO-associated diseases, including cancer, viral infection and autoimmune diseases.

  这份披露涉及到式(I)的融合环化合物和/或其药学上可接受的盐，包括式(I)的融合环化合物和/或其药学上可接受的盐的药物组合物，其制备方法，以及在调节吲哚胺2,3-二氧化酶(IDO)和/或色氨酸2,3-二氧化酶(TDO)活性中的应用。这份披露还提供了治疗IDO和/或TDO相关疾病的方法，包括癌症、病毒感染和自身免疫疾病。
• Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device
  申请人：Nomura Hiroko

  公开号：US20090160324A1

  公开（公告）日：2009-06-25

  A substance having high excitation energy is provided. In particular, a substance having high triplet excitation energy is provided. Further, a light-emitting element, a light-emitting device, and an electronic device each having high emission efficiency and low driving voltage are provided. A triazole derivative to which an amino group is bonded is provided. In addition, a light-emitting element, a light-emitting device, and an electronic device each including the triazole derivative to which the amino group is bonded are provided.

  提供一种具有高激发能量的物质。特别地，提供一种具有高三重激发能量的物质。此外，提供具有高发射效率和低驱动电压的发光元件、发光装置和电子设备。提供一种氨基团结合的三唑衍生物。此外，提供包括氨基团结合的三唑衍生物的发光元件、发光装置和电子设备。
• Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20150197508A1

  公开（公告）日：2015-07-16

  Objects are to provide the following: a substance that facilitates hole injection and has high triplet excitation energy; a light-emitting element having high emission efficiency using the substance that facilitates hole injection and has high triplet excitation energy; a light-emitting element having low driving voltage; and a light-emitting device, an electronic device, and a lighting device having low power consumption. Provided is a triazole derivative in which a dibenzothiophen-4-yl or dibenzofuran-4-yl group represented by General Formula (G2) is bonded to any one of Ar 1 to Ar 3 of a triazole derivative represented by General Formula (G1). In the formulas, A represents oxygen or sulfur, Ar 1 to Ar 3 separately represent a substituted or unsubstituted aryl group having 6 to 13 carbon atoms, and R 1 to R 7 separately represent hydrogen, an alkyl group having 1 to 4 carbon atoms, or a substituted or unsubstituted aryl group having 6 to 13 carbon atoms.

  目的是提供以下内容：一种促进空穴注入并具有高三重态激发能量的物质；使用促进空穴注入并具有高三重态激发能量的物质具有高发射效率的发光元件；具有低驱动电压的发光元件；以及具有低功耗的发光装置、电子设备和照明装置。提供了一种三唑衍生物，其中由一般式（G1）表示的三唑衍生物的Ar1至Ar3中的任何一个与一般式（G2）表示的二苯并噻吩-4-基或二苯并呋喃-4-基键合。在这些公式中，A表示氧或硫，Ar1至Ar3分别表示具有6到13个碳原子的取代或未取代芳基，R1至R7分别表示氢、具有1到4个碳原子的烷基或具有6到13个碳原子的取代或未取代芳基。
• Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative
  申请人：Nomura Hiroko

  公开号：US20080286607A1

  公开（公告）日：2008-11-20

  It is an object of the present invention to provide a novel triazole derivative. Further, it is another object of the present invention to provide a light-emitting element having high luminous efficiency with the use of the novel triazole derivative. Moreover, it is still another object of the present invention to provide a light-emitting device and electronic devices which have low power consumption. A light-emitting element having high luminous efficiency can be manufactured with the use of a triazole derivative which is a 1,2,4-triazole derivative, in which an aryl group or a heteroaryl group is bonded to each of 3-position, 4-position, and 5-position, and in which any one of the aryl group or heteroaryl group has a 9H-carbazol-9-yl group.

  本发明的一个目的是提供一种新颖的三唑衍生物。此外，本发明的另一个目的是利用这种新颖的三唑衍生物提供具有高发光效率的发光元件。此外，本发明的另一个目的是提供具有低功耗的发光装置和电子设备。利用一种1,2,4-三唑衍生物可以制造具有高发光效率的发光元件，其中芳基或杂环芳基分别连接到3位、4位和5位，并且芳基或杂环芳基中的任何一个具有9H-咔唑-9-基团。
• TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE
  申请人：NOMURA Hiroko

  公开号：US20120199818A1

  公开（公告）日：2012-08-09

  It is an object of the present invention to provide a novel triazole derivative. Further, it is another object of the present invention to provide a light-emitting element having high luminous efficiency with the use of the novel triazole derivative. Moreover, it is still another object of the present invention to provide a light-emitting device and electronic devices which have low power consumption. A light-emitting element having high luminous efficiency can be manufactured with the use of a triazole derivative which is a 1,2,4-triazole derivative, in which an aryl group or a heteroaryl group is bonded to each of 3-position, 4-position, and 5-position, and in which any one of the aryl group or heteroaryl group has a 9H-carbazol-9-yl group.

  本发明的目的是提供一种新型的三唑衍生物。此外，本发明的另一个目的是提供一种使用新型三唑衍生物具有高发光效率的发光元件。此外，本发明的另一个目的是提供一种具有低功耗的发光装置和电子设备。使用一种1,2,4-三唑衍生物可以制造具有高发光效率的发光元件，其中芳基或杂环芳基分别连接到3位、4位和5位，并且其中任何一个芳基或杂环芳基具有9H-咔唑-9-基团。