[2-NC₅H₃(3-CONHPh)SeI]  | 1385812-23-6

• 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-NC₅H₃(3-CONHPh)SeI]
• 英文别名: [3-(Phenylcarbamoyl)pyridin-2-yl] selenohypoiodite
• CAS: 1385812-23-6
• 化学式: C₁₂H₉IN₂OSe
• 分子量: 403.081
• InChiKey: OLXGHEKGDMDCIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四(三苯基膦)铂 、 [2-NC₅H₃(3-CONHPh)SeI]  以 苯 为溶剂， 反应 5.0h， 以74%的产率得到trans-[Pt(I){2-SeC₅H₃(3-CONHPh)N}(PPh₃)₂]
  参考文献：
  名称：

  烟酰胺基有机硒化合物在[M（PPh 3）4 ]（M = Pd或Pt）上的氧化加成反应：关于几种可分离产物形成的见解研究

  摘要：

  [2-NC 5 H 3（3-COR）Se] 2（R = NH 2，NHPh或NHpym（pym =嘧啶））与[M（PPh 3）4 ]（M = Pd，Pt ）中的类型的苯，得到配合物，[M {η 2 -sec 5 ħ 3（3-COR）N} {秒5 ħ 3（3-COR）N}（PPH 3）]（1）（M =铂，Pd； R = NH 2，NHPh或NHpym）。与[2-NC 5 H 3（3-COOH）Se] 2的相似反应产生不溶产物，其在用二氯甲烷萃取后得到[M（Cl）{SeC 5H 3（3-COOH）N}（PPh 3）2 ]（2）。化合物2，在甲醇溶液转化成二聚离子络合物，但在CH长时间站立2氯2或三氯甲烷3被转换成[M（Cl）的{η 2 -sec 5 ħ 3（3-COOH）N}（ PPh 3）]。用[2-NC 5 H 3（3-CONHPh）SeI处理[M（PPh 3）4 ]最初产生了预期的氧化加成产物[M（I）{SeC

  DOI：

  10.1016/j.jorganchem.2012.09.012
• 作为产物：
  描述：

  2-氯-N-苯基烟酰胺 在 四氯化碳 、 sodium tetrahydroborate 、 disodium diselenide 、 碘 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 [2-NC₅H₃(3-CONHPh)SeI] 
  参考文献：
  名称：

  Synthesis, characterization, structures and antioxidant activity of nicotinoyl based organoselenium compounds

  摘要：

  A series of nicotinoyl based organoselenium compounds, [2-NC5H3(3-COOH)Se](2) (1), [2-NC5H3(3-CO)Se-Se] (2), [2-NC5H3(3-CONH2)Se](2) (3), [2-NC5H3(3-CONHPh)Se](2) (4), [2-NC5H3(3-CONHpyrimidine)Se](2) (5), [2-NC5H3(3-CONHPh)SeBr] (6) and [2-NC5H3(3-CONHPh)SeI] (7) have been synthesized and characterized by absorption, IR, NMR(H-1, C-13{H-1}, Se-77{H-1}) and mass spectrometry. The crystal structures of [2-NC5H3(3-CO)Se-Se] (2) and [2-NC5H3(3-CONHPh)Se](2) (4) have been determined. The structure of (4) revealed the existence of two intra-molecular Se center dot center dot center dot X (X = O and N) interactions, as a result of this, C-Se-Se-C torsion angle is unusually large (180 degrees). The GPx mimicking activity of these compounds has been evaluated using methods based on H-1 NMR spectroscopy and HPLC. Free radical scavenging ability of the compounds was examined by DPPH and deoxyribose assay. All these studies indicated that the compound (3) not only showed highest GPx activity but also has a very good free radical scavenging ability thus making it a novel structure for development of nicotine based antioxidants. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.04.014