(trans)-2-methyloctahydro-8(2H)-isoquinolinone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (trans)-2-methyloctahydro-8(2H)-isoquinolinone
• 英文别名: (4aS,8aR)-2-methyl-1,3,4,4a,5,6,7,8a-octahydroisoquinolin-8-one
• 化学式: C₁₀H₁₇NO
• 分子量: 167.251
• InChiKey: MBPAMEHMGWXKCA-IUCAKERBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (trans)-2-methyloctahydro-8(2H)-isoquinolinone 在 palladium on activated charcoal sodium tetrahydroborate 、 氢气 作用下， 生成
  参考文献：
  名称：

  A practical entry to C18-constrained-E-ring analogues of methyllycaconitine (MLA): a concise new stereoselective approach to 8-oxa-decahydroisoquinolines accompanied by a simple microwaves-assisted synthesis of the succinimidobenzoate appendage of MLA

  摘要：

  A Mannich-type intramolecular cyclization afforded access to a 8-oxa-decahydroisoquinoline heterocyclic system. Good stereoselectivity was observed. A promising microwave-assisted synthesis of the methylsuccinimidobenzoate moiety of methyllycaconitine has also been carried out. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.12.029
• 作为产物：
  描述：

  (3-氧代环己基)-乙酸乙酯 在 LiAlBH₄ 、 硫酸 、 氢气 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 生成 (trans)-2-methyloctahydro-8(2H)-isoquinolinone
  参考文献：
  名称：

  A practical entry to C18-constrained-E-ring analogues of methyllycaconitine (MLA): a concise new stereoselective approach to 8-oxa-decahydroisoquinolines accompanied by a simple microwaves-assisted synthesis of the succinimidobenzoate appendage of MLA

  摘要：

  A Mannich-type intramolecular cyclization afforded access to a 8-oxa-decahydroisoquinoline heterocyclic system. Good stereoselectivity was observed. A promising microwave-assisted synthesis of the methylsuccinimidobenzoate moiety of methyllycaconitine has also been carried out. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.12.029

文献信息

• Azabicyclic compounds are central nervous system active agents
  申请人：——

  公开号：US20040044029A1

  公开（公告）日：2004-03-04

  Compounds of formula (I) 1 are novel CNS active agents that are useful for treating pain and for treating other disorders associated with the cholinergic system.

  公式(I)1的化合物是新颖的中枢神经系统活性剂，用于治疗疼痛以及治疗与胆碱能系统相关的其他疾病。
• MATHISON I. W.; MORGAN P. H., J. ORG. CHEM. <JOCE-AH>, 1974, 39, NO 22, 3210-3215
  作者：MATHISON I. W.、 MORGAN P. H.

  DOI：——

  日期：——