1,1'-dimethyl-2,3'-bipyrrolidinyl | 6602-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1,1'-dimethyl-2,3'-bipyrrolidinyl
• 英文别名: 1-Methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
• CAS: 6602-17-1
• 化学式: C₁₀H₂₀N₂
• 分子量: 168.282
• InChiKey: LGGCPJTUUHWHRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  77-80 °C(Press: 10 Torr)
• 密度：
  0.971±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基吡咯烷酮 在 钯 lithium aluminium tetrahydride 、 氢气 、 三氯氧磷 作用下， 生成 1,1'-dimethyl-2,3'-bipyrrolidinyl
  参考文献：
  名称：

  Identification and synthesis of novel alkaloids from the root system of Nicotiana tabacum: Affinity for neuronal nicotinic acetylcholine receptors

  摘要：

  A novel pyridine derivative, 3,5-bis-(1-methyl-pyrrolidin-2-yl)-pyridine, and a pair of diastereomers of 1,1'-dimethyl-[2,3]bipyrrolidinyl were isolated from the root of Nicotiana tabacum plants and identified as novel alkaloids by GC-MS analysis. The structures of these new alkaloids were confirmed by total synthesis. The affinities of these novel alkaloids, and other structurally related compounds for alpha L beta 2*, alpha 7* neuronal nicotinic acetylcholine receptors (nAChRs), and for nAChRs mediating nicotine-evoked dopamine release from rat striatum were also assessed. The results indicate that these compounds do not interact with alpha 7* nAChRs, but inhibit [H-3]nicotine binding to the alpha 4 beta 2* nAChR subtype. The results also demonstrate that these compounds act as antagonists at nAChRs mediating nicotine-evoked dopamine release from rat striatum. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.lfs.2005.09.009

文献信息

• Lukes et al., Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 1987,1991
  作者：Lukes et al.

  DOI：——

  日期：——
• System for the determination of selective absorbent molecules through predictive correlations
  申请人：Furman Kevin C.

  公开号：US20110202328A1

  公开（公告）日：2011-08-18

  A method for determining absorbent molecules that are effective for the property of acid gas removal from feedstreams comprising a) determining a set of known molecules that are effective for acid gas removal, b) defining descriptive parameters (descriptors) that correlate with the structure of molecules with known acid gas removal, c) assigning a value to each descriptor for each of the known molecules and developing a quantitative structure and property relationship (QSPR), and d) generating molecular structures that will be effective for acid gas removal from the structure and property relationship.
• Identification and synthesis of novel alkaloids from the root system of Nicotiana tabacum: Affinity for neuronal nicotinic acetylcholine receptors
  作者：Xiaochen Wei、Sangeetha P. Sumithran、A. Gabriela Deaciuc、Harold R. Burton、Lowell P. Bush、Linda P. Dwoskin、Peter A. Crooks

  DOI：10.1016/j.lfs.2005.09.009

  日期：2005.12

  A novel pyridine derivative, 3,5-bis-(1-methyl-pyrrolidin-2-yl)-pyridine, and a pair of diastereomers of 1,1'-dimethyl-[2,3]bipyrrolidinyl were isolated from the root of Nicotiana tabacum plants and identified as novel alkaloids by GC-MS analysis. The structures of these new alkaloids were confirmed by total synthesis. The affinities of these novel alkaloids, and other structurally related compounds for alpha L beta 2*, alpha 7* neuronal nicotinic acetylcholine receptors (nAChRs), and for nAChRs mediating nicotine-evoked dopamine release from rat striatum were also assessed. The results indicate that these compounds do not interact with alpha 7* nAChRs, but inhibit [H-3]nicotine binding to the alpha 4 beta 2* nAChR subtype. The results also demonstrate that these compounds act as antagonists at nAChRs mediating nicotine-evoked dopamine release from rat striatum. (c) 2005 Elsevier Inc. All rights reserved.