2-(2',3',3'-triiodoallyl)-5-phenyltetrazole | 87427-29-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2',3',3'-triiodoallyl)-5-phenyltetrazole
• 英文别名: 5-Phenyl-2-(2,3,3-triiodoallyl)tetrazole；5-phenyl-2-(2,3,3-triiodoprop-2-enyl)tetrazole
• CAS: 87427-29-0
• 化学式: C₁₀H₇I₃N₄
• 分子量: 563.906
• InChiKey: QQNUCMKNUXKCPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,3,3-triodoallyl 4-methylbenzenesulfonate 生成 2-(2',3',3'-triiodoallyl)-5-phenyltetrazole
  参考文献：
  名称：

  INOUYE, SHIGEHARU;NIIDA, TARO;MIYAUCHI, KEINOSUKE;MATSUMOTO, KUNIOMI;AKIT+

  摘要：

  DOI：

文献信息

• Heterocyclic compounds and antibacterial and antifungal compositions containing the same as active ingredients
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0080051A2

  公开（公告）日：1983-06-01

  Triiodoallyl- or iodopropargyl-substituted heterocyclic aromatic compounds which can be prepared by reacting unsubstituted- or substituted nitrogen-containing heterocyclic compounds with corresponding iodine containing alcohol reactive derivatives in the presence of a base in an inert organic solvent. These new heterocyclic aromatic compounds have remarkable antibacterial and antifungal activities and are useful as antibacterial and antifungal agents in medicinal, agricultural and industrial fields.

  三碘烯丙基或碘丙炔基取代的杂环芳香族化合物，可通过未取代或取代的含氮杂环化合物与相应的含碘醇反应衍生物在惰性有机溶剂中，在碱存在下反应制备。 这些新型杂环芳香族化合物具有显著的抗菌和抗真菌活性，可作为抗菌和抗真菌剂用于医药、农业和工业领域。
• Synthesis and quantitative structure-activity relationship analysis of N-triiodoallyl- and N-iodopropargylazoles. New antifungal agents
  作者：Masao Koyama、Noriko Ohtani、Fumio Kai、Ikuo Moriguchi、Shigeharu Inouye

  DOI：10.1021/jm00386a019

  日期：1987.3

  New series of N-(2,3,3-triiodoallyl) and N-(3-iodopropargyl) azole derivatives (100 compounds) involving pyrrole, pyrazole, imidazole, triazole, and tetrazole nuclei were synthesized successively with the aid of quantitative structure-activity relationship (QSAR) analysis to obtain potent antifungal agents. Starting from the derivatives of nitropyrrole-containing antibiotics, the QSAR analysis of the pyrrole derivatives against Candida albicans and Trichophyton mentagrophytes strains indicated the positive contribution of the nitro group and negative effect of the size of molecule. Further application of the QSAR analysis on the multi-azole derivatives revealed the importance of hydrophobicity and electronegativity as well as steric effect to the activities and led to the synthesis of one of the most potent iodo compounds, 2-(2,3,3-triiodoallyl)tetrazole (67, ME1401).
• INOUYE, SHIGEHARU;NIIDA, TARO;MIYAUCHI, KEINOSUKE;MATSUMOTO, KUNIOMI;AKIT+
  作者：INOUYE, SHIGEHARU、NIIDA, TARO、MIYAUCHI, KEINOSUKE、MATSUMOTO, KUNIOMI、AKIT+

  DOI：——

  日期：——
• US4563472A
  申请人：——

  公开号：US4563472A

  公开（公告）日：1986-01-07