5-phenyltetrazole | 883804-35-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-phenyltetrazole
• 英文别名: 5-phenyl-5H-tetrazole；5-Phenyl-tetrazol；5-phenyl-5H-tetrazole
• CAS: 883804-35-1
• 化学式: C₇H₆N₄
• mdl: MFCD02668749
• 分子量: 146.151
• InChiKey: GYNNFEFIJMGANQ-UHFFFAOYSA-N

物化性质

• 沸点：
  220.6±43.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-phenyltetrazole 、 三氯乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以76%的产率得到2-苯基-5-(三氯甲基)-1,3,4-恶二唑
  参考文献：
  名称：

  Reaction of 5-Substituted tetrazoles with trifluoroacetic anhydride

  摘要：

  5-Substituted tetrazoles readily react with trifluoroacetic anhydride at 20-25 degrees C to give the corresponding 2-substituted 5-trifluoromethyl-1,3,4-oxadiazoles, in contrast to published data according to which the title compounds are converted into 1,3,4-oxadiazole derivatives on heating with carboxylic acid anhydrides or chlorides at 100-120 degrees C. The reaction is governed not only by the rate of acylation of the tetrazole ring and temperature conditions but also by the stability of intermediate N-acyltetrazoles.

  DOI：

  10.1134/s1070428007110218
• 作为产物：
  描述：

  苯甲腈 在 sodium azide 、 乙醇胺盐酸盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以67%的产率得到5-phenyltetrazole
  参考文献：
  名称：

  Reaction of 5-Substituted tetrazoles with trifluoroacetic anhydride

  摘要：

  5-Substituted tetrazoles readily react with trifluoroacetic anhydride at 20-25 degrees C to give the corresponding 2-substituted 5-trifluoromethyl-1,3,4-oxadiazoles, in contrast to published data according to which the title compounds are converted into 1,3,4-oxadiazole derivatives on heating with carboxylic acid anhydrides or chlorides at 100-120 degrees C. The reaction is governed not only by the rate of acylation of the tetrazole ring and temperature conditions but also by the stability of intermediate N-acyltetrazoles.

  DOI：

  10.1134/s1070428007110218

文献信息

• Amidoselenation and Amidotelluration of Alkenes using Oxygen as Terminal Oxidant
  作者：Kai Sun、Xin Wang、Chong Zhang、Saifei Zhang、Yao Chen、Hezhen Jiao、Weimin Du

  DOI：10.1002/asia.201700017

  日期：2017.3.16

  conditions. This method provides a simple route to a series of structurally diverse β‐amido selenides and β‐amido tellurides in moderate to high yields. The wide substrate scope, good functional group tolerance, ease of large‐scale preparation and potential for product derivatization make this reaction attractive for the synthesis of nitrogen‐, selenium‐ and tellurium‐containing molecules.

  已经建立了在温和条件下氧介导的亚胺硒化和烯烃酰胺基化的协议。该方法为中等至高收率的一系列结构多样的β-酰胺基硒化物和β-酰胺基碲化物提供了一条简单的途径。广泛的底物范围，良好的官能团耐受性，易于大规模制备以及产品衍生化的潜力，使得该反应对于合成含氮，硒和碲的分子具有吸引力。
• Heterotricylic compounds for use as HCV inhibitors
  申请人：Thota Sambaiah

  公开号：US20050282850A1

  公开（公告）日：2005-12-22

  The present invention comprises tetrazoloquinoline-compounds that are inhibitors of HCV. Compositions comprising the compounds in combination with a pharmaceutically acceptable carrier are also disclosed, as are methods of using the compounds and compositions to inhibit HCV infection of a cell, particular in the form of treating HCV infection in a mammal.

  本发明涉及四唑喹啉类化合物，其为丙肝病毒（HCV）的抑制剂。本发明还公开了包含该化合物与药学上可接受的载体的组合物，以及使用该化合物和组合物抑制细胞中HCV感染的方法，特别是用于治疗哺乳动物的HCV感染。
• ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION
  申请人：LIAONING LIFENG SCIENTIFIC & TECHNOLOGY DEVELOPMENT COMPANY LTD.

  公开号：US20150150893A1

  公开（公告）日：2015-06-04

  This invention relates to novel andrographolide analogs of formula I that are useful for the treatment, prevention and/or amelioration of human diseases of viruses and cancers. This invention also relates with their pharmaceutical compositions, preparative methods and applications.

  本发明涉及式I的新型andrographolide类似物，其可用于治疗、预防和/或改善病毒和癌症等人类疾病。本发明还涉及它们的制药组合物、制备方法和应用。
• Ruthenium(II) Complexes Containing Tetrazolate Group:  Electrochemiluminescence in Solution and Solid State
  作者：Simone Zanarini、Allen J. Bard、Massimo Marcaccio、Antonio Palazzi、Francesco Paolucci、Stefano Stagni

  DOI：10.1021/jp064326r

  日期：2006.11.1

  In this work, we report the results about the solution and solid-state phosphorescence emission properties of six Ru-II complexes containing various 5-substituted tetrazolate ligands. The photo-and electrochemiluminescence spectra of all compounds revealed a red shifted emission with respect to the Ru(bpy)(3)(2+). Significant changes to the light emission energy and to the efficiency and sensitivity to oxygen were also determined by varying the nature of the substituent ring of the tetrazolate ligand. Light-emitting solid devices with active layers containing solid films of the same complexes were prepared, and preliminary studies of their electroinduced emission properties were performed. The electrochemiluminescence (ECL) emission intensity of two of the six complexes was of the same order of magnitude as the reference Ru(bpy)(3)(2+).
• PAWLOWSKI, GEORG;ERDMANN, FRITZ;LUTZ, HEIDRUN
  作者：PAWLOWSKI, GEORG、ERDMANN, FRITZ、LUTZ, HEIDRUN

  DOI：——

  日期：——