bispidine di(hydrochloride)

• 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: bispidine di(hydrochloride)
• 英文别名: 3,7-Diazabicyclo[3.3.1]nonane;hydrochloride
• 化学式: C₇H₁₄N₂*2ClH
• 分子量: 199.123
• InChiKey: BBCKHGGHCBEICM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.24
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-diazaadamantane monohydrochloride 在 potassium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 bispidine di(hydrochloride)
  参考文献：
  名称：

  Bispidine降解二氯甲烷

  摘要：

  CH的有效降解反应2氯2由bispidine（3,7-二氮杂双环[3.3.1]壬烷，C 7 ħ 12（NH）2，1）被报告。该反应开始于-20℃低，相对于1是定量的。总体反应意味着氯化物发生亲核取代，随后发生一系列级联的酸碱反应，最终形成两种易于分离的产物，一种可溶，另一种不可溶。开始1，中间体和产品显示出各种有趣的固态结构，与可塑性，N–H⋯N和N–H⋯Cl⋯H–N氢键以及多态性有关。版权所有©2012 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.2909

文献信息

• The 3,7-diazabicyclo[3.3.1]nonane scaffold for subtype selective nicotinic acetylcholine receptor (nAChR) ligands. Part 1: The influence of different hydrogen bond acceptor systems on alkyl and (hetero)aryl substituents
  作者：Christoph Eibl、Isabelle Tomassoli、Lenka Munoz、Clare Stokes、Roger L. Papke、Daniela Gündisch

  DOI：10.1016/j.bmc.2013.09.059

  日期：2013.12

  3,7-Diazabicyclo[3.3.1]nonane is a naturally occurring scaffold interacting with nicotinic acetylcholine receptors (nAChRs). When one nitrogen of the 3,7-diazabicyclo[3.3.1]nonane scaffold was implemented in a carboxamide motif displaying a hydrogen bond acceptor (HBA) functionality, compounds with higher affinities and subtype selectivity for alpha 4 beta 2* were obtained. The nature of the HBA system (carboxamide, sulfonamide, urea) had a strong impact on nAChR interaction. High affinity ligands for alpha 4 beta 2* possessed small alkyl chains, small un-substituted hetero-aryl groups or para-substituted phenyl ring systems along with a carboxamide group. Electrophysiological responses of selected 3,7-diazabicyclo[3.3.1]nonane derivatives to Xenopus oocytes expressing various nAChR subtypes showed diverse activation profiles. Compounds with strongest agonistic profiles were obtained with small alkyl groups whereas a shift to partial agonism/antagonism was observed for aryl substituents. (C) 2013 Elsevier Ltd. All rights reserved.
• Degradation of dichloromethane by bispidine
  作者：Huiling Cui、Richard Goddard、Klaus-Richard Pörschke

  DOI：10.1002/poc.2909

  日期：2012.10

  An effective degradation reaction of CH2Cl2 by bispidine (3,7‐diazabicyclo[3.3.1]nonane, C7H12(NH)2, 1) is reported. The reaction starts as low as −20 °C and is quantitative with respect to 1. The overall reaction implies nucleophilic substitution of chloride, followed by a series of cascading acid–base reactions, ending with the formation of two easily separable products, one being soluble and the

  CH的有效降解反应2氯2由bispidine（3,7-二氮杂双环[3.3.1]壬烷，C 7 ħ 12（NH）2，1）被报告。该反应开始于-20℃低，相对于1是定量的。总体反应意味着氯化物发生亲核取代，随后发生一系列级联的酸碱反应，最终形成两种易于分离的产物，一种可溶，另一种不可溶。开始1，中间体和产品显示出各种有趣的固态结构，与可塑性，N–H⋯N和N–H⋯Cl⋯H–N氢键以及多态性有关。版权所有©2012 John Wiley＆Sons，Ltd.