10-formyl-1,2,3,4,5,6-hexahydro-1,5-imino-9-methoxy-3,8,11-trimethyl-4-oxo-3-benzazocine | 157916-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 10-formyl-1,2,3,4,5,6-hexahydro-1,5-imino-9-methoxy-3,8,11-trimethyl-4-oxo-3-benzazocine
• CAS: 157916-13-7
• 化学式: C₁₆H₂₀N₂O₃
• 分子量: 288.346
• InChiKey: NJVVIMCACFPKPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  10-formyl-1,2,3,4,5,6-hexahydro-1,5-imino-9-methoxy-3,8,11-trimethyl-4-oxo-3-benzazocine 在 硫酸 、 双氧水 作用下， 以 甲醇 为溶剂， 反应 116.0h， 生成 1,2,3,4,5,6-hexahydro-10-hydroxy-1,5-imino-9-methoxy-3,8,11-trimethyl-4-oxo-3-benzazocine
  参考文献：
  名称：

  Synthesis of saframycins. IX.

  摘要：

  1,2,3,4,5,6-Hexahydro-10-hydroxy-1,5-imino-9-methoxy-3,8,11-trimethyl-3-benzazocine 3b embodying all of the skeletal features of the ABC ring of safracins has been synthesized from compound 4a via a direct regioselective bromination, followed by the sequence reduction, metal-halogen interchange, and reaction of the organometallic intermediate with nitrobenzene. And the conversion of 3b to a quinone 21b is also described.

  DOI：

  10.1016/s0040-4020(01)89667-8
• 作为产物：
  描述：

  1,2,3,4,5,6-hexahydro-9-hydroxy-1,5-imino-3,8,11-trimethyl-4-oxo-3-benzazocine 在 sodium hydride 作用下， 以 正己烷 、 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 反应 17.0h， 生成 10-formyl-1,2,3,4,5,6-hexahydro-1,5-imino-9-methoxy-3,8,11-trimethyl-4-oxo-3-benzazocine
  参考文献：
  名称：

  Synthesis of saframycins. IX.

  摘要：

  1,2,3,4,5,6-Hexahydro-10-hydroxy-1,5-imino-9-methoxy-3,8,11-trimethyl-3-benzazocine 3b embodying all of the skeletal features of the ABC ring of safracins has been synthesized from compound 4a via a direct regioselective bromination, followed by the sequence reduction, metal-halogen interchange, and reaction of the organometallic intermediate with nitrobenzene. And the conversion of 3b to a quinone 21b is also described.

  DOI：

  10.1016/s0040-4020(01)89667-8

文献信息

• Synthesis of saframycins. IX.
  作者：Naoki Saito、Yasuko Obara、Tomoko Aihara、Shunji Harada、Yukiko Shida、Arinori Kubo

  DOI：10.1016/s0040-4020(01)89667-8

  日期：1994.3

  1,2,3,4,5,6-Hexahydro-10-hydroxy-1,5-imino-9-methoxy-3,8,11-trimethyl-3-benzazocine 3b embodying all of the skeletal features of the ABC ring of safracins has been synthesized from compound 4a via a direct regioselective bromination, followed by the sequence reduction, metal-halogen interchange, and reaction of the organometallic intermediate with nitrobenzene. And the conversion of 3b to a quinone 21b is also described.