5,5'-Bis(trifluormethyl)-<2,2'-bi-(1,3,4-oxadiazolyl)> | 155731-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,5'-Bis(trifluormethyl)-<2,2'-bi-(1,3,4-oxadiazolyl)>
• 英文别名: 5,5’-bi-(2-trifluoromethyl-1,3,4-oxadiazole)；2-(Trifluoromethyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
• CAS: 155731-09-2
• 化学式: C₆F₆N₄O₂
• 分子量: 274.082
• InChiKey: QIZCUTXLYNKYGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  环辛炔 、 5,5'-Bis(trifluormethyl)-<2,2'-bi-(1,3,4-oxadiazolyl)> 以 1,4-二氧六环 为溶剂， 反应 20.0h， 以22%的产率得到2-Trifluormethyl-5-(3-trifluormethyl-4,5,6,7,8,9-hexahydro-cyclooctafuran-1-yl)-1,3,4-oxadiazol
  参考文献：
  名称：

  Seitz; Gerninghaus, Pharmazie, 1994, vol. 49, # 2-3, p. 102 - 106

  摘要：

  DOI：
• 作为产物：
  描述：

  Trifluoro-acetic acid N'-[N'-(2,2,2-trifluoro-acetyl)-hydrazinooxalyl]-hydrazide 在 四磷十氧化物 作用下， 以25%的产率得到5,5'-Bis(trifluormethyl)-<2,2'-bi-(1,3,4-oxadiazolyl)>
  参考文献：
  名称：

  Seitz; Gerninghaus, Pharmazie, 1994, vol. 49, # 2-3, p. 102 - 106

  摘要：

  DOI：

文献信息

• Synthesis, Characterisation and Crystal Structures of Two Bi-oxadiazole Derivatives Featuring the Trifluoromethyl Group
  作者：Marcos A. Kettner、Thomas M. Klapötke、Tomasz G. Witkowski、Felix von Hundling

  DOI：10.1002/chem.201406436

  日期：2015.3.9

  closely related compounds 3,3′‐bi‐(5‐trifluoromethyl‐1,2,4‐oxadiazole) and 5,5′‐bi‐(2‐ trifluoromethyl‐1,3,4‐oxadiazole) are reported. These two compounds are known for their bioactivity; however, in this study they serve as model compounds to evaluate the suitability of the heterocyclic oxadiazole ring system for energetic materials when the fluorine atoms in the exocyclic CF3 groups are substituted successively

  密切相关的化合物3,3'-bi-（5-三氟甲基-1,2,4-恶二唑）和5,5'-bi-（2-三氟甲基-1,3）的合成，表征和晶体结构测定，4-恶二唑）的报道。这两种化合物的生物活性众所周知。但是，在这项研究中，当环外CF 3基团中的氟原子连续被硝基取代时，它们用作模型化合物来评估杂环恶二唑环系统对高能材料的适用性。具有二氟硝基甲基，氟代二硝基甲基和三硝基甲基基团的bi-1,3,4-恶二唑衍生物的量子化学计算已经进行，并预测了爆炸性和推进性应用中令人鼓舞的能量性能。
• [EN] 5,5'-BIS(2,4,6-TRINITROPHENYL)-2,2'-BI(1,3,4-OXADIAZOLE) AND BIS(2,4,6-TRINITROBENZOYL)OXALOHYDRAZIDE<br/>[FR] 5,5'-BIS(2,4,6-TRINITROPHÉNYL)-2,2'-BI(1,3,4-OXADIAZOLE) ET BIS(2,4,6-TRINITROBENZOYL)OXALOHYDRAZIDE
  申请人：UNIV MUENCHEN LUDWIG MAXIMILIANS

  公开号：WO2017068136A1

  公开（公告）日：2017-04-27

  The invention relates to 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide, an energetic active mass comprising or consisting of 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) and/or bis(2,4,6-trinitrobenzoyl)oxalohydrazide, a use of 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) as explosive, a use of bis(2,4,6-trinitrobenzoyl)oxalohydrazide as explosive as well as methods for synthesizing 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide.

  本发明涉及5,5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-噁二唑基)苯和双(2,4,6-三硝基苯甲酰)草酰肼，一种包含或由5,5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-噁二唑基)苯和/或双(2,4,6-三硝基苯甲酰)草酰肼组成的高能活性物质，以及5,5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-噁二唑基)苯作为爆炸物的用途，双(2,4,6-三硝基苯甲酰)草酰肼作为爆炸物的用途，以及合成5,5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-噁二唑基)苯和双(2,4,6-三硝基苯甲酰)草酰肼的方法。
• 5,5'-BIS(2,4,6-TRINITROPHENYL)-2,2'-BI(1,3,4-OXADIAZOLE) AND BIS(2,4,6-TRINITROBENZOYL)OXALOHYDRAZIDE
  申请人：Ludwig-Maximilians-Universität München

  公开号：EP3159332A1

  公开（公告）日：2017-04-26

  The invention relates to 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide, an energetic active mass comprising or consisting of 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) and/or bis(2,4,6-trinitrobenzoyl)oxalohydrazide, a use of 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) as explosive, a use of bis(2,4,6-trinitrobenzoyl)oxalohydrazide as explosive as well as methods for synthesizing 5,5'-bis(2,4,6-trinitrophenyl)-2,2'-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide.

  本发明涉及 5,5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-恶二唑)和双(2,4,6-三硝基苯甲酰)草酰肼、由 5,5'-双(2,4,6-三硝基苯基)-2,2'-联(1,3,4-恶二唑)和/或双(2,4,6-三硝苯甲酰基)草酰肼组成的高能活性物质、5,5'-双(2,4,6-三硝基苯基)-2,2'-联(1,3,4-恶二唑)作为炸药的用途、双(2,4,6-三硝基苯甲酰)草酰肼作为炸药的用途以及合成 5、5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-恶二唑)和双(2,4,6-三硝基苯甲酰)草酰肼的合成方法。
• 5,5′-bis(2,4,6-Trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide
  申请人：Ludwig-Maximilians-Universität München

  公开号：US10752560B2

  公开（公告）日：2020-08-25

  The invention relates to 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide, an energetic active mass comprising or consisting of 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) and/or bis(2,4,6-trinitrobenzoyl)oxalohydrazide, a use of 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) as explosive, a use of bis(2,4,6-trinitrobenzoyl)oxalohydrazide as explosive as well as methods for synthesizing 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide.

  本发明涉及 5,5′-双(2,4,6-三硝基苯基)-2,2′-双(1,3,4-恶二唑)和双(2,4,6-三硝基苯甲酰)草酰肼、由 5,5′-双(2,4,6-三硝基苯基)-2,2′-双(1,3,4-恶二唑)和/或双(2,4,6-三硝基苯甲酰)草酰肼组成的高能活性物质、5,5′-双(2,4,6-三硝基苯基)-2,2′-双(1,3,4-恶二唑)作为炸药的用途、双(2,4,6-三硝基苯甲酰)草酰肼作为炸药的用途以及合成 5、5′-双(2,4,6-三硝基苯基)-2,2′-双(1,3,4-恶二唑)和双(2,4,6-三硝基苯甲酰)草酰肼的合成方法。
• 5,5'-Bis(2,4,6-Trinitrophenyl)-2,2'-Bi(1,3,4-Oxadiazole) and Bis(2,4,6-Trinitrobenzoyl)Oxalohydrazide
  申请人：Ludwig-Maximilians-Universität München

  公开号：US20180215677A1

  公开（公告）日：2018-08-02

  The invention relates to 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide, an energetic active mass comprising or consisting of 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) and/or bis(2,4,6-trinitrobenzoyl)oxalohydrazide, a use of 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) as explosive, a use of bis(2,4,6-trinitrobenzoyl)oxalohydrazide as explosive as well as methods for synthesizing 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) and bis(2,4,6-trinitrobenzoyl)oxalohydrazide.