{2-[2-(2-Pyrrolidin-1-yl-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester | 832128-25-3

• 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: {2-[2-(2-Pyrrolidin-1-yl-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate
• CAS: 832128-25-3
• 化学式: C₁₅H₃₀N₂O₄
• 分子量: 302.414
• InChiKey: RHNKSJYSPBYMIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  {2-[2-(2-Pyrrolidin-1-yl-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 26.0h， 生成 1-{2-[2-(2-Amino-ethoxy)-ethoxy]-ethyl}-1-methyl-pyrrolidinium; chloride
  参考文献：
  名称：

  Hemolytic Effects of Water-Soluble Fullerene Derivatives

  摘要：

  A series of water-soluble fullerene C-60 derivatives has been investigated for their cytotoxic and hemolytic properties, with the aim to correlate structure with toxicity. We observed that cationic chains induce significant toxicity while the presence of neutral or anionic moieties did not produce any response in our model. A validation of these experimental observations has been performed by theoretical studies in which hydrophilic and hydrophobic surface areas were correlated quantitatively with hemolytic properties.

  DOI：

  10.1021/jm0497489
• 作为产物：
  描述：

  1,4-二溴丁烷 、 2-(2-(2-氨基乙氧基)乙氧基)乙基氨基甲酸叔丁酯 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以44%的产率得到{2-[2-(2-Pyrrolidin-1-yl-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Hemolytic Effects of Water-Soluble Fullerene Derivatives

  摘要：

  A series of water-soluble fullerene C-60 derivatives has been investigated for their cytotoxic and hemolytic properties, with the aim to correlate structure with toxicity. We observed that cationic chains induce significant toxicity while the presence of neutral or anionic moieties did not produce any response in our model. A validation of these experimental observations has been performed by theoretical studies in which hydrophilic and hydrophobic surface areas were correlated quantitatively with hemolytic properties.

  DOI：

  10.1021/jm0497489

文献信息

• Non-Covalent Complexes Comprising Carbon Nanotubes
  申请人：Bianco Alberto

  公开号：US20080076816A1

  公开（公告）日：2008-03-27

  The present invention relates to the use of a carbon nanotube comprising positive and/or negative charges, the charges being carried by at least one charge-carrying group, the charge carrying group being covalently bound to the surface of the carbon nanotube, for the manufacture of a complex between the carbon nanotube and at least one charged molecule, the bond between the carbon nanotube and the charged molecule being essentially electrostatic, and the charged molecule comprising at least one negative charge if the carbon nanotube comprises positive charges and/or at least one positive charge if the carbon nanotube comprises negative charges.
• US7858648B2
  申请人：——

  公开号：US7858648B2

  公开（公告）日：2010-12-28
• Hemolytic Effects of Water-Soluble Fullerene Derivatives
  作者：Susanna Bosi、Luigi Feruglio、Tatiana Da Ros、Giampiero Spalluto、Barbara Gregoretti、Michela Terdoslavich、Giuliana Decorti、Sabina Passamonti、Stefano Moro、Maurizio Prato

  DOI：10.1021/jm0497489

  日期：2004.12.1

  A series of water-soluble fullerene C-60 derivatives has been investigated for their cytotoxic and hemolytic properties, with the aim to correlate structure with toxicity. We observed that cationic chains induce significant toxicity while the presence of neutral or anionic moieties did not produce any response in our model. A validation of these experimental observations has been performed by theoretical studies in which hydrophilic and hydrophobic surface areas were correlated quantitatively with hemolytic properties.