Pyridazine-3,6-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2-methyl-propyl)-amide] | 352352-40-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Pyridazine-3,6-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2-methyl-propyl)-amide]
• CAS: 352352-40-0
• 化学式: C₁₆H₂₆N₄O₄
• 分子量: 338.407
• InChiKey: KKKMJLDAWAZMCN-ZIAGYGMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.03
• 重原子数：
  24.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  124.44
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Pyridazine-3,6-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2-methyl-propyl)-amide] 在 氯化亚砜 、 potassium tert-butylate 作用下， 以 二氯甲烷 为溶剂， 反应 19.5h， 生成 3,6-bis[(4S)-4,5-dihydro-4-isopropyloxazol-2-yl]pyridazine
  参考文献：
  名称：

  Synthesis and crystal structure of twisted dinuclear η3-allylpalladium complexes containing tetradentate nitrogen ligands

  摘要：

  The dinuclear palladium allyl complexes 7 and 12, which contain tetradentate nitrogen ligands 2 or 3 as bridging ligands, respectively, were synthesized and characterized. Crystal X-ray analysis of these complexes reveal that the two coordination planes of the palladium are twisted, although each of the coordination spheres presents roughly the same structural features as the related (bipyridine)allylpalladium complex. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00729-x
• 作为产物：
  描述：

  L-缬氨醇 、 dimethyl pyridazine-3,6-dicarboxylate 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 Pyridazine-3,6-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2-methyl-propyl)-amide]
  参考文献：
  名称：

  Synthesis and crystal structure of twisted dinuclear η3-allylpalladium complexes containing tetradentate nitrogen ligands

  摘要：

  The dinuclear palladium allyl complexes 7 and 12, which contain tetradentate nitrogen ligands 2 or 3 as bridging ligands, respectively, were synthesized and characterized. Crystal X-ray analysis of these complexes reveal that the two coordination planes of the palladium are twisted, although each of the coordination spheres presents roughly the same structural features as the related (bipyridine)allylpalladium complex. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00729-x