2-Amino-5-phenyl-tetrazol | 23579-47-7

• 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-Amino-5-phenyl-tetrazol
• 英文别名: 5-Phenyltetrazol-2-amine
• CAS: 23579-47-7
• 化学式: C₇H₇N₅
• 分子量: 161.166
• InChiKey: SAMZJHKVTAZLPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Amino-5-phenyl-tetrazol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 121.0h， 生成
  参考文献：
  名称：

  Tetrazolium N-Aminides

  摘要：

  Tetrazolium N-aminides (8-10), i.e. the first derivatives of the types (A-C; Z = NY), have been prepared via the tetrazolium salts (5-7) and fully characterized. The preferred geometries of 8c-10c have been determined by a Hartree-Fock and Density Functional Theory calculation [HF/6-31G(d), B3LYP/6-31G(d)].

  DOI：

  10.3987/com-04-10192
• 作为产物：
  描述：

  5-苯基四氮唑 在 sodium carbonate 、 hydroxylamine-O-sulfonic acid 作用下， 以 水 为溶剂， 以12 %的产率得到5-phenyltetrazol-1-amine
  参考文献：
  名称：

  1-Benzyloxy-5-phenyltetrazole derivatives highly active against androgen receptor-dependent prostate cancer cells

  摘要：

  DOI：

  10.1016/j.ejmech.2022.114982

文献信息

• Tetrazolium N-Aminides: Complementary Studies on Synthesis and Properties
  作者：Dietrich Moderhack、Matthias Noreiks

  DOI：10.3987/com-09-11760

  日期：——

  Attempts are made to access the title compounds from N-amido/ureidotetrazoles (A, B; 1H- / 2H-system). These materials are provided by acylation of the respective N-aminotetrazoles (A in one step, B partly by hydrolysis of diacylated derivatives which are obtained directly). On treatment with excess dimethyl sulfate only A undergoes the necessary ring quatemization, giving rise to two isomers (ratio

  尝试从 N-酰氨基/脲基四唑（A，B；1H-/2H-系统）中获取标题化合物。这些材料通过各自N-氨基四唑的酰化提供(A在一个步骤中，B部分通过直接获得的二酰化衍生物的水解)。在用过量的硫酸二甲酯处理时，只有 A 进行必要的环季铵化，产生两种异构体（比例约为 4:1）；用碱进行后处理可以分离出主要的胺 (X)。该技术需要完全完成（缓慢的）季铵化过程，因为在 pH > 7 时，硫酸二甲酯会迅速影响 A 的侧链。结论实验涉及标题化合物 (X-XII) 的质子化和甲基化。
• Khramchikhin, A. V.; Ostrovskii, V. A.; Stadnichuk, M. D., Journal of general chemistry of the USSR, 1991, vol. 61, # 7.2, p. 1484 - 1490
  作者：Khramchikhin, A. V.、Ostrovskii, V. A.、Stadnichuk, M. D.

  DOI：——

  日期：——
• GILCHRIST T. L.; GYMER G. E.; REES C. W., J. CHEM. SOC. PERKIN TRANS, PART 1 <JCPK-BH>, 1975, NO 18, 1747-1750
  作者：GILCHRIST T. L.、 GYMER G. E.、 REES C. W.

  DOI：——

  日期：——
• POLISHING COMPOSITION, METHOD FOR PRODUCING SAME, POLISHING METHOD, AND METHOD FOR PRODUCING SUBSTRATE
  申请人：FUJIMI INCORPORATED

  公开号：US20190085208A1

  公开（公告）日：2019-03-21

  To provide a polishing composition capable of polishing objects to be polished, such as simple substance silicon, silicon compounds, and metals, at a high polishing removal rate. The polishing composition contains a polishing removal accelerator containing a compound having a ring structure configured to contain four or more nitrogen atoms, abrasives, and a liquid medium.
• Tetrazolium N-Aminides
  作者：Dietrich Moderhack、Matthias Noreiks

  DOI：10.3987/com-04-10192

  日期：——

  Tetrazolium N-aminides (8-10), i.e. the first derivatives of the types (A-C; Z = NY), have been prepared via the tetrazolium salts (5-7) and fully characterized. The preferred geometries of 8c-10c have been determined by a Hartree-Fock and Density Functional Theory calculation [HF/6-31G(d), B3LYP/6-31G(d)].