[1-(2-hydroxyethyl)-1-Me-pyrrolidinium] iodide | 54770-67-1

• 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-(2-hydroxyethyl)-1-Me-pyrrolidinium] iodide
• 英文别名: 1-(2-hydroxy-ethyl)-1-methyl-pyrrolidinium; iodide；1-(2-Hydroxy-aethyl)-1-methyl-pyrrolidinium; Jodid；2-(1-Methylpyrrolidin-1-ium-1-yl)ethanol;iodide
• CAS: 54770-67-1
• 化学式: C₇H₁₆NO*I
• 分子量: 257.115
• InChiKey: RGHGPCQNOLHSAI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.78
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [1-(2-hydroxyethyl)-1-Me-pyrrolidinium] iodide 在 Dowex 550A 作用下， 以 甲醇 为溶剂， 生成 2-(1-Methylpyrrolidin-1-ium-1-yl)ethanol;hydroxide
  参考文献：
  名称：

  Tetraphenylboroxinate(1-) salts of monoborate cations: Synthesis and single-crystal X-ray structures of [Ph2B{OCH2CH2N(Me)(CH2)n}2][Ph4B3O3] (n=4, 5)

  摘要：

  The salts, [Ph(2)B{OCH(2)CH(2)N(Me)(CH(2))(n)}(2)][Ph(4)B(3)O(3)](n = 4,5), were prepared in moderate yields in MeOH solution from reaction of Ph(2)BOBPh(2) with [N(CH(2))n(Me)(CH(2)CH(2)OH)][OH] and PhB(OH)(2) in a 1:2:4 ratio. The reactions also lead to Ph(3)B(3)O(3). Both salts were characterized by NMR ((1)H, (13)C, (11)B) IR, and single-crystal XRD studies. The salts are comprised of cationic monoborates (zwitterionic, 2N(+) and 1B(-)) and tetraphenylboroxinate anions. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.026
• 作为产物：
  描述：

  N-(2-羟乙基)-吡咯烷 、 碘甲烷 以 丙酮 为溶剂， 以95 %的产率得到[1-(2-hydroxyethyl)-1-Me-pyrrolidinium] iodide
  参考文献：
  名称：

  ECHINOCANDIN ANALOGUES AND PREPARATION METHOD THEREFOR

  摘要：

  本发明涉及一种棘白菌素衍生物及其制备方法。所述化合物可用于预防或治疗真菌感染，或用于预防、稳定或抑制真菌生长或杀灭真菌。示例性化合物由式I表示，其中R1、R2、R3和G组的定义如说明中所述。

  公开号：

  EP4063381A1

文献信息

• Hypotensors. 2-Ammonioalkyl 3-Ammonioalkanoate Salts¹
  作者：I. F. Halverstadt、W. R. Hardie、A. R. Williams

  DOI：10.1021/ja01523a036

  日期：1959.7
• v. Braun; Braunsdorf; Raeth, Chemische Berichte, 1922, vol. 55, p. 1673
  作者：v. Braun、Braunsdorf、Raeth

  DOI：——

  日期：——
• Tetraphenylboroxinate(1-) salts of monoborate cations: Synthesis and single-crystal X-ray structures of [Ph2B{OCH2CH2N(Me)(CH2)n}2][Ph4B3O3] (n=4, 5)
  作者：Michael A. Beckett、Elliot L. Bennett、Peter N. Horton、Michael B. Hursthouse

  DOI：10.1016/j.jorganchem.2009.09.026

  日期：2010.4

  The salts, [Ph(2)BOCH(2)CH(2)N(Me)(CH(2))(n)}(2)][Ph(4)B(3)O(3)](n = 4,5), were prepared in moderate yields in MeOH solution from reaction of Ph(2)BOBPh(2) with [N(CH(2))n(Me)(CH(2)CH(2)OH)][OH] and PhB(OH)(2) in a 1:2:4 ratio. The reactions also lead to Ph(3)B(3)O(3). Both salts were characterized by NMR ((1)H, (13)C, (11)B) IR, and single-crystal XRD studies. The salts are comprised of cationic monoborates (zwitterionic, 2N(+) and 1B(-)) and tetraphenylboroxinate anions. (C) 2009 Elsevier B.V. All rights reserved.
• ECHINOCANDIN ANALOGUES AND PREPARATION METHOD THEREFOR
  申请人：Shanghai Senhui Medicine Co., Ltd.

  公开号：EP4063381A1

  公开（公告）日：2022-09-28

  The present invention relates to an echinocandin analogue and a preparation method therefor. The compound can be used for preventing or treating fungal infection, or for preventing, stabilizing or inhibiting fungal growth or killing fungi. An exemplary compound is represented by formula I, wherein the definitions of R1, R2, R3 and G groups are as described in the description.

  本发明涉及一种棘白菌素衍生物及其制备方法。所述化合物可用于预防或治疗真菌感染，或用于预防、稳定或抑制真菌生长或杀灭真菌。示例性化合物由式I表示，其中R1、R2、R3和G组的定义如说明中所述。