[2-(diethoxy-phosphorylmethyl)-4,5-diiodo-benzyl]-phosphonic acid diethyl ester | 760977-31-9

• 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: [2-(diethoxy-phosphorylmethyl)-4,5-diiodo-benzyl]-phosphonic acid diethyl ester
• CAS: 760977-31-9
• 化学式: C₁₆H₂₆I₂O₆P₂
• 分子量: 630.135
• InChiKey: OROPRPMKNCYVKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.43
• 重原子数：
  26.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [2-(diethoxy-phosphorylmethyl)-4,5-diiodo-benzyl]-phosphonic acid diethyl ester 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 48.5h， 生成 1,2-bis(3,5-bis-trifluoromethylphenylethynyl)-4,5-bis(4-diethylaminostyryl)benzene
  参考文献：
  名称：

  Synthesis and electronic properties of bis-styryl substituted trimeric aryleneethynylenes. Comparison of cruciforms with iso-cruciforms

  摘要：

  Four 1,2-distyryl-4,5-bis(phenylethynyl)benzenes are described. A two step synthesis, a combination of Homer and Sonogashira methods is utilized. The targets and their para isomers were examined by UV-vis and fluorescence spectroscopies as well as by cyclic voltammetry. They show solvatochromic behavior and are easily oxidized if the styryl units carry dialkylamino substitutents. Single crystal structures of three derivatives have been obtained. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.06.040
• 作为产物：
  描述：

  1,2-二碘-4,5-二甲基苯 在 N-溴代丁二酰亚胺(NBS) 、 二叔丁基过氧化物 作用下， 以 氯仿 为溶剂， 反应 14.0h， 生成 [2-(diethoxy-phosphorylmethyl)-4,5-diiodo-benzyl]-phosphonic acid diethyl ester
  参考文献：
  名称：

  Synthesis and electronic properties of bis-styryl substituted trimeric aryleneethynylenes. Comparison of cruciforms with iso-cruciforms

  摘要：

  Four 1,2-distyryl-4,5-bis(phenylethynyl)benzenes are described. A two step synthesis, a combination of Homer and Sonogashira methods is utilized. The targets and their para isomers were examined by UV-vis and fluorescence spectroscopies as well as by cyclic voltammetry. They show solvatochromic behavior and are easily oxidized if the styryl units carry dialkylamino substitutents. Single crystal structures of three derivatives have been obtained. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.06.040