(RS)-10(H)-11-methyl-11-(2-propen-1-yl)dibenz[b,f]oxepin-10-one | 852955-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (RS)-10(H)-11-methyl-11-(2-propen-1-yl)dibenz[b,f]oxepin-10-one
• CAS: 852955-17-0
• 化学式: C₁₈H₁₆O₂
• 分子量: 264.324
• InChiKey: UJNHJYMKZWEFOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (RS)-10(H)-11-methyl-11-(2-propen-1-yl)dibenz[b,f]oxepin-10-one 在 三乙胺 、 间氯过氧苯甲酸 、 calcium oxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 37.0h， 生成 (2SR,3aRS,12bRS)-2,3-dihydro-3a,12b-dimethyl-2-N,N-dimethylaminomethyldibenzo[b,f]furo[2,3-d]oxepine
  参考文献：
  名称：

  Synthesis of 2-N,N-dimethylaminomethyl-2,3,3a,12b-tetrahydrodibenzo[b,f]furo[2,3-d]oxepine derivatives as potential anxiolytic agents. Part 2: substitutions by methyl groups on the tetrahydrofuran ring

  摘要：

  New synthesis approaches that have led to a series of novel tetrahydrodibenzo[b,f]furo[2,3-d]oxepine derivatives are described. A systematic synthetic approach for the introduction of small carbon substituents (methyl groups) around the tetrahydrofuran moiety of tetrahydrodibenzo[b,f]furo[2,3-d]oxepine derivatives is reported. Preliminary pharmacological data of the newly synthesised compounds are also communicated.

  DOI：

  10.1016/j.farmac.2004.12.008
• 作为产物：
  描述：

  碘甲烷 、 11-(2-propenyl)-dibenzo[b,f]oxepin-10(11H)one 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以77%的产率得到(RS)-10(H)-11-methyl-11-(2-propen-1-yl)dibenz[b,f]oxepin-10-one
  参考文献：
  名称：

  Synthesis of 2-N,N-dimethylaminomethyl-2,3,3a,12b-tetrahydrodibenzo[b,f]furo[2,3-d]oxepine derivatives as potential anxiolytic agents. Part 2: substitutions by methyl groups on the tetrahydrofuran ring

  摘要：

  New synthesis approaches that have led to a series of novel tetrahydrodibenzo[b,f]furo[2,3-d]oxepine derivatives are described. A systematic synthetic approach for the introduction of small carbon substituents (methyl groups) around the tetrahydrofuran moiety of tetrahydrodibenzo[b,f]furo[2,3-d]oxepine derivatives is reported. Preliminary pharmacological data of the newly synthesised compounds are also communicated.

  DOI：

  10.1016/j.farmac.2004.12.008