indazole-1-d | 61700-63-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: indazole-1-d
• 英文别名: Indazol-1-d；1D-indazole；1-deuterio-1H-indazole；(1-~2~H)-1H-Indazole；1-deuterioindazole
• CAS: 61700-63-8
• 化学式: C₇H₆N₂
• 分子量: 119.13
• InChiKey: BAXOFTOLAUCFNW-DYCDLGHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  indazole-1-d 在 丁硫醇 作用下， 以 氯仿 为溶剂， 生成 吲唑
  参考文献：
  名称：

  Tupitsyn, I. F.; Komarov, V. I., Journal of general chemistry of the USSR, 1987, vol. 57, p. 1632 - 1640

  摘要：

  DOI：
• 作为产物：
  描述：

  吲唑 在 重水 作用下， 生成 indazole-1-d
  参考文献：
  名称：

  Mass-analyzed threshold ionization of deuterium substituted indazole and benzimidazole and site-specific H/D exchange reaction

  摘要：

  We have applied the mass-analyzed threshold ionization spectroscopic technique to record the cation spectra of deuterium substituted indazole and benzimidazole. The deuterium substitution causes red shifts in the ionization energies of these aza-aromatic bicyclic molecules by only a few tens wavenumbers. Comparing these data with those of deuterated aniline and indole suggests that the H/D exchange mainly takes place on the NH or CH sites of the five-membered ring. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.cplett.2010.10.031

文献信息

• Tupitsyn, I. F.; Komarov, V. I., Journal of general chemistry of the USSR, 1987, vol. 57, p. 1632 - 1640
  作者：Tupitsyn, I. F.、Komarov, V. I.

  DOI：——

  日期：——
• Mass-analyzed threshold ionization of deuterium substituted indazole and benzimidazole and site-specific H/D exchange reaction
  作者：Shih Chang Yang、Wen Bih Tzeng

  DOI：10.1016/j.cplett.2010.10.031

  日期：2010.12

  We have applied the mass-analyzed threshold ionization spectroscopic technique to record the cation spectra of deuterium substituted indazole and benzimidazole. The deuterium substitution causes red shifts in the ionization energies of these aza-aromatic bicyclic molecules by only a few tens wavenumbers. Comparing these data with those of deuterated aniline and indole suggests that the H/D exchange mainly takes place on the NH or CH sites of the five-membered ring. (C) 2010 Elsevier B. V. All rights reserved.