N,N'-(2-hydroxy)propylene-bis((2-imino-3-oximino)butane) | 439901-67-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-(2-hydroxy)propylene-bis((2-imino-3-oximino)butane)
• 英文别名: N,N'-(2-hydroxy)propylenebis(2-imino-3-oximino)butane
• CAS: 439901-67-4
• 化学式: C₁₁H₂₀N₄O₃
• 分子量: 256.305
• InChiKey: CUNYZXBSWNNPLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  454.6±55.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  110.13
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N,N'-(2-hydroxy)propylene-bis((2-imino-3-oximino)butane) 在 air 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 [Mn(III)(N,N'-(2-hydroxy)propylene-bis((2-imino-3-oximino)butane(2-))(N,N'-propylene-bis(benzaldimine))]ClO4
  参考文献：
  名称：

  Synthesis and Characterization of Some New Manganese(II) Complexes, Manganese(III) Heterochelates, and µ‐Dioxo‐dimanganese(IV) Complexes Involving Tetradentate Schiff Bases

  摘要：

  Condensation of 1,3-diaminopropane-2-ol with diacetylmonoxime and acetylacetone yielded the tetradentate Schiff bases N,N'-(2-hydroxy) propylene-bis{(2-imino-3-oximino)butane} (H2L2) and N,N'-(2-hydroxy) propylene-bis(acetylacetoneimine) (H2L2), respectively. The ligands form mononuclear manganese(II) complexes of the type [Mn(II)(L-1)] (1) and [Mn(II)(L-2)] (3), which are used for the formation of the manganese(III) heterochelates of the type [Mn(III)(L)(L-L)] (where H2L = H2L1 or H2L2; L-L = anion of acetylacetone or salicylaldehyde). Cationic heterochelates of the type [Mn(L)(L-L)]ClO4 where H2L = H2L1 or H2L2 and L-L = ethylenediamine and N,N'-propylene-bis(benzaldimine) (L-3) have been synthesized by the reactions of bis(acetylacetonato)manganese(II) or bis(salicylaldehydato)manganese(H) with the preformed Schiff bases or by the reactions of [Mn(II)(L-1)] or [Mn(II)(L-2)] with L-L in absolute alcohol under reflux. Some of the complexes, synthesized here, may be used as precursors in the synthesis of higher nuclearity manganese complexes. Air oxidation of [Mn(II)(L-1)] (1) and [Mn(II)(L-2)] (3) in DMF yielded the dark-brown mu-dioxo-bis-[N,N'-(2-hydroxy)propylene-bis{(2-imino-3-oximino)butane}]dimangenese(IV) (2) and mu-dioxo-bis[N,N'-(2-hydroxy)propylenebis{(acetylacetoneimine)}]dimangenese(IV) (4) complexes, respectively. All of the complexes have been characterized with the help of elemental analyses, molar conductance values, molecular weights, magnetic moments, and spectroscopic (IR, UV-VIS, ESR) data.

  DOI：

  10.1081/sim-200026605
• 作为产物：
  描述：

  二乙酰一肟 、 1,3-二氨基-2-羟基丙烷 生成 N,N'-(2-hydroxy)propylene-bis((2-imino-3-oximino)butane)
  参考文献：
  名称：

  Dey, Kamalendu; Biswas, Susobhan, Journal of the Indian Chemical Society, 2002, vol. 79, # 3, p. 222 - 224

  摘要：

  DOI：

文献信息

• Dey, Kamalendu; Bhaumik, Bijali Bikash; Sarkar, Saikat, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2004, vol. 43, # 4, p. 773 - 777
  作者：Dey, Kamalendu、Bhaumik, Bijali Bikash、Sarkar, Saikat

  DOI：——

  日期：——
• Stabilization of 2D water sheets in a supramolecular metal–organic Schiff base complex: Reversible structural transformation upon dehydration–rehydration
  作者：Rajat Saha、Susobhan Biswas、Ian M. Steele、Kamalendu Dey、Atish Dipankar Jana、Sanjay Kumar

  DOI：10.1016/j.ica.2013.01.023

  日期：2013.4

  A new metal-organic complex [Ni(HL1)Cl](2)center dot 5H(2)O} has been synthesized using a Schiff base ligand H2L1 [where H2L1 = N,N'-(2-hydroxy)propylenebis(2-imino-3-oximino)butane] and characterized by single crystal X-ray crystallographic, IR and thermal studies. Structural analysis reveals that the complex crystallizes in achiral C2/c space group and it has 3D supramolecular structure. Hydrogen bonding interactions among the metal-organic moieties form 2D supramolecular sheets within the crystallographic ab-plane. These 2D sheets are packed along crystallographic c-axis with formation of 1D supramolecular channels along crystallographic a-axis and thus the complex behaves like metal-organic supramolecular host (MOSH). Five guest water molecules get stability within the supramolecular channels through hydrogen bonding interactions. Hydrogen bonding interactions among the guest water molecules produce 2D supramolecular sheets within the ab-plane with (H2O)(12) morphology. These supramolecular water sheets are of two different types: one contains only right handed helical chains and the other contains only left handed helical chains. The complex undergoes reversible structural transformation upon dehydration-rehydration. (C) 2013 Elsevier B.V. All rights reserved.