(7-Bromo-benzo[1,3]dioxol-5-ylmethyl)-(2,2-diethoxy-ethyl)-methyl-amine | 212332-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: (7-Bromo-benzo[1,3]dioxol-5-ylmethyl)-(2,2-diethoxy-ethyl)-methyl-amine
• 英文别名: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,2-diethoxy-N-methylethanamine
• CAS: 212332-86-0
• 化学式: C₁₅H₂₂BrNO₄
• 分子量: 360.248
• InChiKey: ZGTNCHOYHLPSLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (7-Bromo-benzo[1,3]dioxol-5-ylmethyl)-(2,2-diethoxy-ethyl)-methyl-amine 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 9-bromo-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-8-ol
  参考文献：
  名称：

  Three complementary methods offering access to 5-substituted 1,2,3,4-tetrahydroisoquinolines

  摘要：

  The scope and limitations of three independent though related routes leading to 5-substituted tetrahydroisoquinolines are explored : the Pidet-Spengler type cyclization of ortho-substituted 2-phenylethylamines, the Pomeranz-Fritsch type cyclization of meta-substituted benzylamines and the electrophilic trapping of 5-lithiated 4-lithiooxytetrahydroquinolines. The introduction of the substituent relies in all three cases on a neighboring group assisted site selective metalation step. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00541-9
• 作为产物：
  描述：

  7-溴胡椒醛 在 sodium tetrahydroborate 、 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 生成 (7-Bromo-benzo[1,3]dioxol-5-ylmethyl)-(2,2-diethoxy-ethyl)-methyl-amine
  参考文献：
  名称：

  Three complementary methods offering access to 5-substituted 1,2,3,4-tetrahydroisoquinolines

  摘要：

  The scope and limitations of three independent though related routes leading to 5-substituted tetrahydroisoquinolines are explored : the Pidet-Spengler type cyclization of ortho-substituted 2-phenylethylamines, the Pomeranz-Fritsch type cyclization of meta-substituted benzylamines and the electrophilic trapping of 5-lithiated 4-lithiooxytetrahydroquinolines. The introduction of the substituent relies in all three cases on a neighboring group assisted site selective metalation step. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00541-9

文献信息

• Three complementary methods offering access to 5-substituted 1,2,3,4-tetrahydroisoquinolines
  作者：Manfred Schlosser、Gyula Simig、Hervé Geneste

  DOI：10.1016/s0040-4020(98)00541-9

  日期：1998.7

  The scope and limitations of three independent though related routes leading to 5-substituted tetrahydroisoquinolines are explored : the Pidet-Spengler type cyclization of ortho-substituted 2-phenylethylamines, the Pomeranz-Fritsch type cyclization of meta-substituted benzylamines and the electrophilic trapping of 5-lithiated 4-lithiooxytetrahydroquinolines. The introduction of the substituent relies in all three cases on a neighboring group assisted site selective metalation step. (C) 1998 Elsevier Science Ltd. All rights reserved.