1,4-二氯-1,4-二苯基-2,3-二氮杂-1,3-丁二烯 | 461009-52-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,4-二氯-1,4-二苯基-2,3-二氮杂-1,3-丁二烯
• 英文名称: bis(α-chlorobenzylidene)hydrazine
• 英文别名: N'-(chloro(phenyl)methylene)benzohydrazonoyl chloride；(NZ,Z)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
• CAS: 461009-52-9
• 化学式: C₁₄H₁₀Cl₂N₂
• 分子量: 277.153
• InChiKey: SAZIGIAVMOYTBU-JTFWXBGUSA-N

物化性质

• 沸点：
  390.4±25.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-二氯-1,4-二苯基-2,3-二氮杂-1,3-丁二烯 反应 26.5h， 生成 3,5-二(苯基)-1H-1,2,4-三唑
  参考文献：
  名称：

  Gautun, Odd Reidar; Carlsen, Per H. J., Acta Chemica Scandinavica, 1991, vol. 45, # 6, p. 609 - 615

  摘要：

  DOI：
• 作为产物：
  描述：

  3-chloro-3-phenyl-3H-diazirine 反应 1.5h， 生成 1,4-二氯-1,4-二苯基-2,3-二氮杂-1,3-丁二烯
  参考文献：
  名称：

  氯（苯基）卡宾的分子间和分子内反应。

  摘要：

  在环糊精（CyD）宿主中进行了3-chloro-3-phenyl-3H-diazirine的超分子光解（8），以确定这些环糊精包合物是否可以改变随后的卡宾反应中间体氯（苯基）卡宾的反应性（9） ）。值得注意的是，没有检测到源自卡宾9的分子内产物。而是通过所谓的分子内反应形成修饰的CyD。因此，将重氮嗪8在各种常规溶剂中进行光解，以测定卡宾9的分子间反应性。相关结果用于合理化CyD分子内反应产物。

  DOI：

  10.1021/jo026521h

文献信息

• Organometallic Complex, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device
  申请人：Inoue Hideko

  公开号：US20110101854A1

  公开（公告）日：2011-05-05

  Provided are organometallic complexes that can exhibit phosphorescence. One of the novel organometallic complexes is represented by General Formula (G1). In General Formula (G1), R 1 represents any of an alkyl group having 1 to 6 carbon atoms, a cycloalkyl group having 5 to 8 carbon atoms which may have a substituent, and an aralkyl group having 7 to 10 carbon atoms which may have a substituent. In addition, R 2 represents any of an alkyl group having 1 to 6 carbon atoms, a cycloalkyl group having 5 to 8 carbon atoms which may have a substituent, and an aryl group having 6 to 12 carbon atoms which may have a substituent. Further, Ar represents an arylene group having 6 to 13 carbon atoms which may have a substituent. Further, M represents a Group 9 element or a Group 10 element.

  提供的是可以显示磷光的有机金属络合物。其中一个新型有机金属络合物由通用公式（G1）表示。在通用公式（G1）中，R1代表任何一种具有1至6个碳原子的烷基、具有5至8个碳原子可能带有取代基的环烷基以及具有7至10个碳原子可能带有取代基的芳烷基。此外，R2代表任何一种具有1至6个碳原子的烷基、具有5至8个碳原子可能带有取代基的环烷基以及具有6至12个碳原子可能带有取代基的芳基。另外，Ar代表一个具有6至13个碳原子可能带有取代基的亚芳基。此外，M代表第9族元素或第10族元素。
• [EN] ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE<br/>[FR] COMPLEXE ORGANOMÉTALLIQUE, ÉLÉMENT ÉMETTANT DE LA LUMIÈRE, DISPOSITIF D'AFFICHAGE, DISPOSITIF ÉLECTRONIQUE ET DISPOSITIF D'ÉCLAIRAGE
  申请人：SEMICONDUCTOR ENERGY LAB

  公开号：WO2011052516A1

  公开（公告）日：2011-05-05

  Provided are organometallic complexes that can exhibit phosphorescence. One of the novel organometallic complexes is represented by General Formula (G1). In General Formula (G1), R1 represents any of an alkyl group having 1 to 6 carbon atoms, a cycloalkyl group having 5 to 8 carbon atoms which may have a substituent, and an aralkyl group having 7 to 10 carbon atoms which may have a substituent. In addition, R2 represents any of an alkyl group having 1 to 6 carbon atoms, a cycloalkyl group having 5 to 8 carbon atoms which may have a substituent, and an aryl group having 6 to 12 carbon atoms which may have a substituent. Further, Ar represents an arylene group having 6 to 13 carbon atoms which may have a substituent. Further, M represents a Group 9 element or a Group 10 element.

  提供的是能够显示磷光的有机金属络合物。其中一个新颖的有机金属络合物由通用公式（G1）表示。在通用公式（G1）中，R1 代表的是任何一种具有1到6个碳原子的烷基、具有5到8个碳原子的可能带有取代基的环烷基以及具有7到10个碳原子的可能带有取代基的芳烷基。此外，R2 代表的是任何一种具有1到6个碳原子的烷基、具有5到8个碳原子的可能带有取代基的环烷基以及具有6到12个碳原子的可能带有取代基的芳基。进一步地，Ar 代表的是一个具有6到13个碳原子的可能带有取代基的亚芳基。此外，M 代表的是第9族元素或第10族元素。
• Nucleophile-Induced Intramolecular Dipole 1,5-Transfer and 1,6-Cyclization:  Experimental and ab Initio Studies of Formation, Thermolysis, and Molecular and Electronic Structures of 3,6-Diphenyl-1-propanesulfenimido-1,2,4,5-tetrazine
  作者：Piotr Kaszynski、Victor G. Young

  DOI：10.1021/ja993884z

  日期：2000.3.1

  The structure of this unprecedented ylide was confirmed with single-crystal X-ray analysis [C17H17N5S, monoclinic P21/n a = 6.8294(4) A, b = 13.6781(9) A, c = 17.5898(12) A, β = 90.666(1)°, Z = 4] and favorably compared with the results of ab initio calculations. The mechanisms of formation of the ylide and its thermal decomposition to 2,5-diphenyltetrazine (5) were investigated using ab initio methods

  二氯苯扎肼 (2) 与叠氮化钠反应，然后与 1-丙硫醇/Et3N 反应，得到四嗪叶立德 1 作为主要产物。这种前所未有的叶立德的结构通过单晶 X 射线分析得到证实 [C17H17N5S, 单斜晶 P21/na = 6.8294(4) A, b = 13.6781(9) A, c = 17.5898(12) A, β = 90.666( 1)°, Z = 4] 并与 ab initio 计算的结果相比有利。使用 ab initio 方法研究了叶立德的形成机制及其热分解为 2,5-二苯基四嗪 (5) 的机制，并与实验观察结果相关联。结果表明 1 的形成涉及腈亚胺的分子内环化和 1 的热解可能会生成亚磺基腈。1 的形成被认为是潜在更一般反应的第一个例子。
• 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, and Electronic Device Using Triazole Derivative
  申请人：Nomura Hiroko

  公开号：US20100079066A1

  公开（公告）日：2010-04-01

  A novel triazole derivative which has a large energy gap and can be used for electron-transporting layer of a light-emitting element or as a host material. In addition, a light-emitting element which has higher emission efficiency by using the novel triazole derivative. Furthermore, a low power consumption light-emitting device and electronic device. A triazole derivative having a structure represented by the general formula (G1). In the formula, Py represents a pyridyl group. R 11 and R 12 each represent any of hydrogen, an alkyl group having 1 to 4 carbon atoms, an alkoxy group having 1 to 4 carbon atoms, or a phenyl group.

  一种新型三唑衍生物，具有较大的能隙，可用作发光元件的电子传输层或作为主体材料。此外，通过使用这种新型三唑衍生物，可以获得具有更高发射效率的发光元件。此外，还有一种低功耗的发光装置和电子设备。具有通用式（G1）所代表的结构的三唑衍生物。在该式中，Py代表吡啶基。R11和R12分别表示氢、具有1至4个碳原子的烷基基团、具有1至4个碳原子的烷氧基团或苯基中的任意一种。