2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-ethylethanamine | 845555-58-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-ethylethanamine
• CAS: 845555-58-0
• 化学式: C₁₂H₂₃NO₂
• 分子量: 213.32
• InChiKey: KVVQHYANCJMBFH-UHFFFAOYSA-N

物化性质

• 沸点：
  301.8±17.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-ethylethanamine 在 sodium tetrahydroborate 、 硫酸 作用下， 以 水 为溶剂， 反应 24.0h， 生成 (4aS,8R,8aR)-2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol
  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 、 氢气 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-ethylethanamine
  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

• 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
  作者：Daniele Simoni、Marcello Rossi、Riccardo Rondanin、Riccardo Baruchello、Giuseppina Grisolia、Marco Eleopra、Riccardo Giovannini、Andrea Bozzoli、Silvia Davalli、Romano Di Fabio、Daniele Donati

  DOI：10.1016/j.tetlet.2004.12.029

  日期：2005.1

  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.