2-<2.2-Bis-ethoxycarbonyl-ethyl>-selenophen | 95494-82-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-<2.2-Bis-ethoxycarbonyl-ethyl>-selenophen
• 英文别名: selenophen-2-ylmethyl-malonic acid diethyl ester；Diethyl 2-(selenophen-2-ylmethyl)propanedioate
• CAS: 95494-82-9
• 化学式: C₁₂H₁₆O₄Se
• 分子量: 303.217
• InChiKey: FRONYAGJXOLOMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.03
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-<2.2-Bis-ethoxycarbonyl-ethyl>-selenophen 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以81%的产率得到3-ethoxy-3-oxo-2-(selenophen-2-ylmethyl)propanoic acid
  参考文献：
  名称：

  Selenosartans: Novel selenophene analogues of milfasartan and eprosartan

  摘要：

  A series of selenophene analogues of the thiophene-containing anti hypertensives milfasartan and eprosartan were prepared and tested for AT(1) receptor antagonist properties. All four selenophene compounds proved to be potent AT(1) receptor antagonists, with pK(B) estimates indicating that these selenides are at least as effective as the thiophene parent compounds at blocking AT(1) receptor mediated responses. These results reveal that replacement of sulfur with selenium in thiophene-containing sartans does not interfere with sartan activity. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.136
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 2-<2.2-Bis-ethoxycarbonyl-ethyl>-selenophen
  参考文献：
  名称：

  Selenosartans: Novel selenophene analogues of milfasartan and eprosartan

  摘要：

  A series of selenophene analogues of the thiophene-containing anti hypertensives milfasartan and eprosartan were prepared and tested for AT(1) receptor antagonist properties. All four selenophene compounds proved to be potent AT(1) receptor antagonists, with pK(B) estimates indicating that these selenides are at least as effective as the thiophene parent compounds at blocking AT(1) receptor mediated responses. These results reveal that replacement of sulfur with selenium in thiophene-containing sartans does not interfere with sartan activity. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.136