5-acetyl-1-phenyl-1H-tetrazole | 343945-95-9

• 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-acetyl-1-phenyl-1H-tetrazole
• 英文别名: 1-(1-phenyl-1H-tetrazol-5-yl)-ethanone；1-(1-Phenyl-1H-tetrazol-5-yl)-aethanon；1-(1-phenyl-1H-tetraazol-5-yl)ethanone；1-(1-phenyltetrazol-5-yl)ethanone
• CAS: 343945-95-9
• 化学式: C₉H₈N₄O
• 分子量: 188.189
• InChiKey: FOPXWBQWZLKDSV-UHFFFAOYSA-N

物化性质

• 熔点：
  126-126.5 °C
• 沸点：
  363.2±25.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  60.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-acetyl-1-phenyl-1H-tetrazole 在 1,4-二氧六环 、 sodium hydroxide 、 碘 、 potassium iodide 作用下， 生成 5-碘-1-苯基四唑
  参考文献：
  名称：

  STUDIES IN TETRAZOLE CHEMISTRY.¹ II. THE SYNTHESIS AND REACTIONS OF 1-PHENYL-5-ACETYLTETRAZOLE²

  摘要：

  DOI：

  10.1021/jo01375a015
• 作为产物：
  描述：

  1-phenyl-1H-tetrazole-5-carbonitrile 、 甲基碘化镁 、 乙酰氯 、 盐酸 以12%的产率得到
  参考文献：
  名称：

  MODERHACK D., CHEM. ZTG., 1981, 105, NO 6, 194-195

  摘要：

  DOI：

文献信息

• [4+2] Cycloadditions of 3-Tetrazolyl-1,2-diaza-1,3-butadienes: Synthesis of 3-Tetrazolyl-1,4,5,6-tetrahydropyridazines
  作者：Susana M. M. Lopes、Amadeu F. Brigas、Francisco Palacios、Américo Lemos、Teresa M. V. D. Pinho e Melo

  DOI：10.1002/ejoc.201101826

  日期：2012.4

  3-tetrazolyl-1,4,5,6-tetrahydropyridazines by Diels–Alder reactions of ethyl 3-(tetrazol-5-yl)-1,2-diaza-1,3-butadiene-1-carboxylates is reported. These 1,2-diaza-1,3-dienes reacted with electron-rich heterocycles, nucleophilic olefins and cumulenes, as well as with electron-deficient dienophiles, to give the target compounds regioselectively. Computational studies corroborated the rationalization of the observed

  通过 3-(四唑-5-基)-1,2-二氮杂-1,3-丁二烯-1-羧酸乙酯的 Diels-Alder 反应合成新的 3-四唑基-1,4,5,6-四氢哒嗪是报道。这些 1,2-二氮杂-1,3-二烯与富电子杂环、亲核烯烃和枯草烯以及缺电子亲二烯体反应，区域选择性地得到目标化合物。计算研究证实了观察到的反应性和选择性的合理化。
• 5-Iodotetrazoles
  申请人：Uhr Hermann

  公开号：US20090036506A1

  公开（公告）日：2009-02-05

  The compounds of the formula (I) in which R 1 represents hydrogen or in each case optionally substituted alkyl, alkenyl, alkynyl or phenyl are highly suitable as microbicides for protecting plants and materials.

  式(I)中化合物，其中R1代表氢原子或在每种情况下可选地取代的烷基、烯基、炔基或苯基，非常适用于作为微生物杀菌剂，以保护植物和材料。
• METHOD FOR PRODUCING METAL PARTICLE DISPERSION, CONDUCTIVE INK USING METAL PARTICLE DISPERSION PRODUCED BY SUCH METHOD, AND CONDUCTIVE COATING FILM
  申请人：Toyo Ink Mfg. Co., Ltd

  公开号：EP1952918A1

  公开（公告）日：2008-08-06

  Disclosed is a method for producing a metal particle dispersion wherein a metal compound is reduced by using carbodihydrazide represented by the formula (1) below or a polybasic acid polyhydrazide represented by the formula (2) below (wherein R represents an n-valent polybasic acid residue) in a liquid medium. By reducing the metal compound in the presence of a compound having a function preventing discoloration of the metal, there can be obtained a metal particle dispersion having excellent discoloration preventing properties. Metal particles produced by such methods have a uniform particle diameter and are excellent in dispersion stability. By using a conductive resin composition or conductive ink containing a metal particle dispersion obtained by such production methods, there can be formed a conductive coating film, such as a conductive circuit or an electromagnetic layer, having good characteristics.

  本发明公开了一种生产金属颗粒分散液的方法，该方法通过在液体介质中使用下式 (1) 所代表的碳二酰肼或下式 (2) 所代表的多基酸多酰肼（其中 R 代表正价多基酸残基）还原金属化合物。通过在具有防止金属褪色功能的化合物存在下还原金属化合物，可获得具有优异防褪色性能的金属颗粒分散液。通过这种方法制得的金属颗粒具有均匀的颗粒直径和出色的分散稳定性。使用含有通过这种生产方法获得的金属颗粒分散体的导电树脂组合物或导电墨水，可以形成具有良好特性的导电涂膜，例如导电电路或电磁层。
• A hetero-Diels–Alder approach to functionalized 1H-tetrazoles: synthesis of tetrazolyl-1,2-oxazines, -oximes and 5-(1-aminoalkyl)-1H-tetrazoles
  作者：Susana M.M. Lopes、Américo Lemos、Teresa M.V.D. Pinho e Melo

  DOI：10.1016/j.tetlet.2010.10.095

  日期：2010.12

  This work describes the first and unprecedented examples of inverse electron demand Diels-Alder reactions of 5-(1-nitrosovinyl)-1-phenyl-1H-tetrazole, generated in situ from the corresponding bromooxime, with electron rich alkenes and heterocycles, providing in good overall yields tetrazolyl,2-oxazines and -oximes. Upon subsequent reduction these allowed the access to 5-(1-aminoalkyl)-1H-tetrazoles, paving the way for a new entry into this important class of compounds, bioisosteres of alpha-amino acids. (C) 2010 Elsevier Ltd. All rights reserved.
• 5-IODTETRAZOLE
  申请人：LANXESS Deutschland GmbH

  公开号：EP1773125B1

  公开（公告）日：2008-05-21