Ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetate | 925439-19-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetate
• 英文别名: ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetate
• CAS: 925439-19-6
• 化学式: C₁₇H₂₅NO₄
• 分子量: 307.39
• InChiKey: WVRSDQDOPSILAN-UHFFFAOYSA-N

物化性质

• 沸点：
  418.8±40.0 °C(Predicted)
• 密度：
  1.101±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetate 以 溶剂黄146 为溶剂， 反应 16.17h， 生成 2-(4-chloro-phenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-isothiazolo[2,3-a]pyrimidin-7-one
  参考文献：
  名称：

  Microwave assisted synthesis of isothiazolo-, thiazolo-, imidazo-, and pyrimido-pyrimidinones as novel MCH1R antagonists

  摘要：

  An efficient microwave assisted condensation of alpha-heteroarylamines with 3-dimethylamino-2-aryl-propenoates has been developed to synthesize various fused bi-heterocyclic compounds, including isothiazolo-, thiazolo-, imidazo-, and pyrimido-pyrimidinones as novel MCH1R antagonists. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.120
• 作为产物：
  描述：

  N-(2-氯乙基)吡咯烷 、 高香兰酸乙酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以53%的产率得到Ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetate
  参考文献：
  名称：

  Microwave assisted synthesis of isothiazolo-, thiazolo-, imidazo-, and pyrimido-pyrimidinones as novel MCH1R antagonists

  摘要：

  An efficient microwave assisted condensation of alpha-heteroarylamines with 3-dimethylamino-2-aryl-propenoates has been developed to synthesize various fused bi-heterocyclic compounds, including isothiazolo-, thiazolo-, imidazo-, and pyrimido-pyrimidinones as novel MCH1R antagonists. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.120

文献信息

• Microwave assisted synthesis of isothiazolo-, thiazolo-, imidazo-, and pyrimido-pyrimidinones as novel MCH1R antagonists
  作者：Tao Guo、Rachael C. Hunter、Rui Zhang、William J. Greenlee

  DOI：10.1016/j.tetlet.2006.11.120

  日期：2007.1

  An efficient microwave assisted condensation of alpha-heteroarylamines with 3-dimethylamino-2-aryl-propenoates has been developed to synthesize various fused bi-heterocyclic compounds, including isothiazolo-, thiazolo-, imidazo-, and pyrimido-pyrimidinones as novel MCH1R antagonists. (c) 2006 Elsevier Ltd. All rights reserved.