N-Methyl-5,6-dihydro-7H,12H-dibenzoazocin | 16031-94-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-Methyl-5,6-dihydro-7H,12H-dibenzoazocin
• 英文别名: N-Methyl-5,6-dihydro-7H,12H-dibenzazocin；11-methyl-10,12-dihydro-5H-benzo[d][2]benzazocine
• CAS: 16031-94-0
• 化学式: C₁₆H₁₇N
• 分子量: 223.318
• InChiKey: SPEAELWLROZKAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  cis/trans-2-Methyl-1-phenyl-2-<(trimethylsilyl)methyl>isoindolinium iodide 在 cesium fluoride 作用下， 以 六甲基磷酰三胺 为溶剂， 反应 3.0h， 生成 N-Methyl-5,6-dihydro-7H,12H-dibenzoazocin 、 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Rearrangement of cis and trans-2-methyl-1-(substituted phenyl)isoindolinium 2-methylides

  摘要：

  Fluoride ion induced desilylation of cis-2-methyl-1-(substituted phenyl)-2-[(trimethylsilyl)methyl] isoindolinium iodides cis-5 gave mixtures of the Sommelet-Hauser rearrangement products 7 and the Stevens products 8 in a ratio about 8.5:1.5. Similar treatments of the trans-isomers (trans-5) afforded exclusively 8. The pathways of the ylide rearrangement are discussed.

  DOI：

  10.1021/jo00080a024

文献信息

• CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS
  申请人：Etat Français représenté par la Direction Centrale Du Service de Santé des Armées

  公开号：EP3945092A1

  公开（公告）日：2022-02-02

  The present invention relates to compounds for their use in the reactivation of butyrylcholinesterase. Such compounds are useful in the treatment or prevention of the intoxication with at least one organophosphorus nerve agent. The invention also relates to pharmaceutical compositions and kits comprising said compounds, and compounds per se.

  本发明涉及化合物，用于重新激活丁酰胆碱酯酶。这些化合物在治疗或预防至少一种有机磷神经毒剂中毒方面是有用的。该发明还涉及包含所述化合物的药物组合物和试剂盒，以及化合物本身。
• Rearrangement of cis and trans-2-methyl-1-(substituted phenyl)isoindolinium 2-methylides
  作者：Akira Sakuragi、Naohiro Shirai、Yoshiro Sato、Yukihisa Kurono、Keiichiro Hatano

  DOI：10.1021/jo00080a024

  日期：1994.1

  Fluoride ion induced desilylation of cis-2-methyl-1-(substituted phenyl)-2-[(trimethylsilyl)methyl] isoindolinium iodides cis-5 gave mixtures of the Sommelet-Hauser rearrangement products 7 and the Stevens products 8 in a ratio about 8.5:1.5. Similar treatments of the trans-isomers (trans-5) afforded exclusively 8. The pathways of the ylide rearrangement are discussed.