7-溴-1-萘胺盐酸盐 | 137466-04-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 7-溴-1-萘胺盐酸盐
• 英文名称: 7-Bromo-1-naphthylamine hydrochloride
• 英文别名: 7-bromo-[1]naphthylamine; hydrochloride；7-Brom-[1]naphthylamin; Hydrochlorid；1-Naphthalenamine, 7-bromo-, hydrochloride；7-bromonaphthalen-1-amine;hydrochloride
• CAS: 137466-04-7
• 化学式: C₁₀H₈BrN*ClH
• 分子量: 258.545
• InChiKey: LKIWVZUUPBZLSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  13
• 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：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-溴-1-萘胺盐酸盐 在 盐酸 、 氟硼酸钠 、 sodium nitrite 作用下， 生成 7-Bromo-1-naphthyldiazonium tetrafluoroborate
  参考文献：
  名称：

  Nuclear spin-spin coupling via nonbonded interactions. 7. Effects of molecular structure on nitrogen-fluorine coupling

  摘要：

  To test whether the recently discovered phenomenon of through-space nuclear spin-spin coupling between intramolecularly crowded N-15 and F-19 nuclei shows the same sort of striking dependence on molecular structure as the long-known phenomenon of through-space nuclear spin-spin coupling between pairs of intramolecularly crowded F-19 nuclei, several N-15-enriched oximes and some simple derivatives thereof were synthesized and their J(NF) values were determined by F-19 NMR spectroscopy. The experimental J(NF) values ranged from 8.6 to 43.5 Hz. The molecular structures of these compounds were determined by single-crystal X-ray diffraction. The observed dependence of the N-15-F-19 coupling constants on molecular structure was qualitatively consistent with the predictions of the lone-pair orbital overlap theory that was developed earlier to account for through-space coupling involving fluorine nuclei.

  DOI：

  10.1021/jo00027a063
• 作为产物：
  描述：

  溴苯 在 sodium hydroxide 、 三氯化铝 、 硫酸 、 盐酸羟胺 、 乙酸酐 作用下， 以 乙醇 、 环己烷 、 水 、 溶剂黄146 为溶剂， 反应 1.0h， 生成 7-溴-1-萘胺盐酸盐
  参考文献：
  名称：

  Nuclear spin-spin coupling via nonbonded interactions. 7. Effects of molecular structure on nitrogen-fluorine coupling

  摘要：

  To test whether the recently discovered phenomenon of through-space nuclear spin-spin coupling between intramolecularly crowded N-15 and F-19 nuclei shows the same sort of striking dependence on molecular structure as the long-known phenomenon of through-space nuclear spin-spin coupling between pairs of intramolecularly crowded F-19 nuclei, several N-15-enriched oximes and some simple derivatives thereof were synthesized and their J(NF) values were determined by F-19 NMR spectroscopy. The experimental J(NF) values ranged from 8.6 to 43.5 Hz. The molecular structures of these compounds were determined by single-crystal X-ray diffraction. The observed dependence of the N-15-F-19 coupling constants on molecular structure was qualitatively consistent with the predictions of the lone-pair orbital overlap theory that was developed earlier to account for through-space coupling involving fluorine nuclei.

  DOI：

  10.1021/jo00027a063

文献信息

• Substituent Effects. VIII.¹ Synthesis of Substituted α- and β-Fluoronaphthalenes²
  作者：W. Adcock、M. J. S. Dewar

  DOI：10.1021/ja00978a038

  日期：1967.1