7-methoxy-1,5-dimethyl-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-6-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-methoxy-1,5-dimethyl-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-6-one
• 英文别名: 7-methoxy-1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazocin-6-one
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: DLTAKLAHLSMILG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间溴苯甲醚 在 2,2,6,6-tetramethylpiperidinyl-lithium 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 7.0h， 生成 7-methoxy-1,5-dimethyl-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-6-one
  参考文献：
  名称：

  Silylaryl Halides Can Replace Triflates as Aryne Precursors

  摘要：

  Silylaryl bromides and iodides can be prepared in one step from commercially available starting materials. Arynes can be generated from these compounds under conditions nearly identical to those employed for silylaryl triflates. Three distinct transformations, ortho-arylation of N-tritylanilines, intermolecular addition of arynes to amides, and reaction of ureas with arynes, were shown to be successful for the new aryne precursors. The main advantage of silylaryl halides relative to silyl aryl triflates is their one-step preparation from commercially available starting materials.

  DOI：

  10.1021/acs.orglett.6b01952

文献信息

• Addition of Ureas to Arynes: Straightforward Synthesis of Benzodiazepine and Benzodiazocine Derivatives
  作者：Hiroto Yoshida、Eiji Shirakawa、Yuki Honda、Tamejiro Hiyama

  DOI：10.1002/1521-3773(20020902)41:17<3247::aid-anie3247>3.0.co;2-p

  日期：2002.9.2
• Silylaryl Halides Can Replace Triflates as Aryne Precursors
  作者：Milad Mesgar、Olafs Daugulis

  DOI：10.1021/acs.orglett.6b01952

  日期：2016.8.5

  Silylaryl bromides and iodides can be prepared in one step from commercially available starting materials. Arynes can be generated from these compounds under conditions nearly identical to those employed for silylaryl triflates. Three distinct transformations, ortho-arylation of N-tritylanilines, intermolecular addition of arynes to amides, and reaction of ureas with arynes, were shown to be successful for the new aryne precursors. The main advantage of silylaryl halides relative to silyl aryl triflates is their one-step preparation from commercially available starting materials.