2-chloro-3-N-pyrimidinenicotinamide | 106531-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-chloro-3-N-pyrimidinenicotinamide
• 英文别名: 2-chloro-N-pyrimidin-2-ylpyridine-3-carboxamide
• CAS: 106531-43-5
• 化学式: C₁₀H₇ClN₄O
• mdl: MFCD03383765
• 分子量: 234.645
• InChiKey: FYEPHXCHEFLRNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 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：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-3-N-pyrimidinenicotinamide 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 5H-pyrido<3,2-e>pyrimido<1,2-a>pyrimidine-5-one hydrochloride
  参考文献：
  名称：

  吡啶并[2,3 - d ]嘧啶-4-酮衍生物的合成

  摘要：

  本文描述5的一锅法合成ħ - [1,3]噻唑并[3,2-一个]吡啶并[3,2- ë ]嘧啶-5-酮4，5 ħ -dipyri-做[1,2 a：3'，2'- e ]嘧啶-5-酮10和5 H-吡啶并[3,2- e ] pyrimido [1,2- a ]嘧啶-5-酮15及其某些衍生物从2-氯-3-吡啶carboxilic酸1.化合物4和10与五硫化二磷反应，得到相应的5-硫酮类似物，5从4和11从10。

  DOI：

  10.1002/jhet.5570230240
• 作为产物：
  描述：

  2-氯烟酸 在 吡啶 、 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 3.0h， 生成 2-chloro-3-N-pyrimidinenicotinamide
  参考文献：
  名称：

  吡啶并[2,3 - d ]嘧啶-4-酮衍生物的合成

  摘要：

  本文描述5的一锅法合成ħ - [1,3]噻唑并[3,2-一个]吡啶并[3,2- ë ]嘧啶-5-酮4，5 ħ -dipyri-做[1,2 a：3'，2'- e ]嘧啶-5-酮10和5 H-吡啶并[3,2- e ] pyrimido [1,2- a ]嘧啶-5-酮15及其某些衍生物从2-氯-3-吡啶carboxilic酸1.化合物4和10与五硫化二磷反应，得到相应的5-硫酮类似物，5从4和11从10。

  DOI：

  10.1002/jhet.5570230240

文献信息

• Synthesis of pyrido[2,3-<i>d</i>]pyrimidin-4-one derivatives
  作者：A. Monge、V. Martinez-Merino、E. Fernández-Alvarez

  DOI：10.1002/jhet.5570230240

  日期：1986.3

  This paper describes one-pot synthesis of 5H-[1,3]thiazolo[3,2-a]pyrido[3,2-e]pyrimidin-5-one 4, 5H-dipyri-do[1,2-a:3′,2′-e]pyrimidin-5-one 10 and 5H-pyrido[3,2-e]pyrimido[1,2-a]pyrimidin-5-one 15 and some of their derivatives, starting with 2-chloro-3-pyridine carboxilic acid 1. Compounds 4 and 10 reacted with phosphorus pentasulfide to give the respective 5-thione analogues, 5 from 4 and 11 from

  本文描述5的一锅法合成ħ - [1,3]噻唑并[3,2-一个]吡啶并[3,2- ë ]嘧啶-5-酮4，5 ħ -dipyri-做[1,2 a：3'，2'- e ]嘧啶-5-酮10和5 H-吡啶并[3,2- e ] pyrimido [1,2- a ]嘧啶-5-酮15及其某些衍生物从2-氯-3-吡啶carboxilic酸1.化合物4和10与五硫化二磷反应，得到相应的5-硫酮类似物，5从4和11从10。
• Synthesis, characterization, structures and antioxidant activity of nicotinoyl based organoselenium compounds
  作者：C. Parashiva Prabhu、Prasad P. Phadnis、Amey P. Wadawale、K. Indira Priyadarsini、Vimal K. Jain

  DOI：10.1016/j.jorganchem.2012.04.014

  日期：2012.8

  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-13H-1}, Se-77H-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.