(R)-1-[2-(4-Chloromethyl-phenoxy)-ethyl]-3-methyl-pyrrolidine | 869006-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-1-[2-(4-Chloromethyl-phenoxy)-ethyl]-3-methyl-pyrrolidine
• CAS: 869006-41-7
• 化学式: C₁₄H₂₀ClNO
• 分子量: 253.772
• InChiKey: ISCVXFRTDIITJF-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.15
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  12.47
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (R)-1-[2-(4-Chloromethyl-phenoxy)-ethyl]-3-methyl-pyrrolidine 在 钯 甲酸铵 、 sodium hydride 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-Hydroxy-phenyl)-3-methyl-1-{4-[2-((R)-3-methyl-pyrrolidin-1-yl)-ethoxy]-benzyl}-1H-indol-5-ol
  参考文献：
  名称：

  Estrogen receptor ligands. Part 14: Application of novel antagonist side chains to existing platforms

  摘要：

  Two novel side chains which had previously been found to enhance antagonist activity in the dihydrobenzoxathiin SERM series were applied to three existing platforms. The novel side chains did not improve the antagonist activity of the existing platforms. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.084
• 作为产物：
  描述：

  {4-[2-((R)-3-Methyl-pyrrolidin-1-yl)-ethoxy]-phenyl}-methanol; hydrochloride 在 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 生成 (R)-1-[2-(4-Chloromethyl-phenoxy)-ethyl]-3-methyl-pyrrolidine
  参考文献：
  名称：

  Estrogen receptor ligands. Part 14: Application of novel antagonist side chains to existing platforms

  摘要：

  Two novel side chains which had previously been found to enhance antagonist activity in the dihydrobenzoxathiin SERM series were applied to three existing platforms. The novel side chains did not improve the antagonist activity of the existing platforms. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.084