sodium salicylidenemethylaminate | 77530-03-1

• 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: sodium salicylidenemethylaminate
• 英文别名: sodium 2-(methyliminomethyl)phenolate；Sodium;2-(methyliminomethyl)phenolate；sodium;2-(methyliminomethyl)phenolate
• CAS: 77530-03-1
• 化学式: C₈H₈NO*Na
• 分子量: 157.147
• InChiKey: KHWVXKUHDAUWJD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.19
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  sodium salicylidenemethylaminate 、 三苯基二氯化锑 以 苯 为溶剂， 以65%的产率得到chloro{2-(methyliminomethyl)phenolato}triphenylantimony(V)
  参考文献：
  名称：

  Jain, V. K.; Bohra, R.; Mehrotra, R. C., Australian Journal of Chemistry, 1980, vol. 33, # 12, p. 2749 - 2752

  摘要：

  DOI：
• 作为产物：
  描述：

  N-Methyl-5-chlor-salicylaldimin 在 sodium hydride 作用下， 以 甲苯 为溶剂， 以80.3%的产率得到sodium salicylidenemethylaminate
  参考文献：
  名称：

  锂半Salen配合物：作为外消旋丙交酯开环聚合催化剂的合成、结构表征和研究

  摘要：

  已经合成并表征了七种锂半salen配合物，并显示出聚合状态与丙交酯聚合反应性之间的相关性。反应性研究表明，醇的存在/不存在将机制从活化单体转变为配位插入，分别生成线性或环状聚合物。

  DOI：

  10.1002/ejoc.202100981

文献信息

• Synthesis, structure, and solid-state phosphorescence of heteroleptic platinum(II) complexes bearing iminophenyl and iminophenoxy ligands
  作者：Naruyoshi Komiya、Takashi Kashiwabara、Shotaro Iwata、Takeshi Naota

  DOI：10.1016/j.jorganchem.2013.04.009

  日期：2013.8

  A series of heteroleptic platinum(II) complexes 1 bearing iminophenyl and iminophenoxy ligands have been synthesized and characterized using NMR, IR, and emission spectroscopies, mass spectrometry, and single crystal X-ray diffraction. The complexes exhibit intense phosphorescent emission with an absolute quantum efficiency (Phi(298K)) up to 0.29 in the crystalline state. Chromogenic control of solid-state emission over a range of 99 nm can be performed simply by introducing methoxy (MeO) groups at different positions on the aromatic rings. Hypsochromic and bathochromic shifts from the orange 1a crystal are observed with 4-/11-MeO (para-position of the imine moieties on the phenyl and phenoxy ligands; yellow emission) and 5-/12-MeO (para-position of the phenyl and phenoxy moieties; reddish orange and red emission) substitution, respectively. Time-dependent density functional theory (TD-DFT) calculations (B3LYP/6-31G*, LanL2DZ) indicated that the chromatic variation can be ascribed to the position-specific influence of the substituents on the HOMO and LUMO levels. The solid-state emission and heat-resistance are discussed based on the molecular packing of the crystals. (C) 2013 Elsevier B. V. All rights reserved.