1-allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

• 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: 1-allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 3,3-Dimethyl-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline；3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinoline
• 化学式: C₁₄H₁₉N
• 分子量: 201.312
• InChiKey: BHIURJONZDVGCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  三烯丙基硼烷 、 3,4-二氢-3,3-二甲基-异喹啉 在 sodium hydroxide 作用下， 生成 1-allyl-3,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Allylboration and cyclization of 3,4-dihydroisoquinoline derivatives. Synthesis of the benzopyrrocoline system

  摘要：

  A novel approach to hexahydropyrrolo[2,1-a]isoquinolines (hexahydrobenzo[g]pyrrocolines) based on the allylboration of 3,4-dihydroisoquinolines followed by closure of the pyrrolidine ring through the hydroboration - oxidation - intramolecular N-alkylation sequence was developed.

  DOI：

  10.1007/bf01431319

文献信息

• Allylboration and cyclization of 3,4-dihydroisoquinoline derivatives. Synthesis of the benzopyrrocoline system
  作者：Yu. N. Bubnov、A. Yu. Zykov、A. V. Ignatenko、A. G. Mikhailovsky、Yu. V. Shklyaev、V. S. Shklyaev

  DOI：10.1007/bf01431319

  日期：1996.4

  A novel approach to hexahydropyrrolo[2,1-a]isoquinolines (hexahydrobenzo[g]pyrrocolines) based on the allylboration of 3,4-dihydroisoquinolines followed by closure of the pyrrolidine ring through the hydroboration - oxidation - intramolecular N-alkylation sequence was developed.