N,N'-2,3-naphthalene-bis(oxamic acid) diethyl ether | 948907-07-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N,N'-2,3-naphthalene-bis(oxamic acid) diethyl ether
• 英文别名: 2,3-naphthalene bis(oxamato)；nabo-H2Et2
• CAS: 948907-07-1
• 化学式: C₁₈H₁₈N₂O₆
• 分子量: 358.351
• InChiKey: FWZDRFKCXISARD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  110.8
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tetra-n-butylammonium hydroxide 、 copper dichloride 、 N,N'-2,3-naphthalene-bis(oxamic acid) diethyl ether 以 not given 为溶剂， 生成 [nBu4N]2[Cu(N,N'-2,3-naphthalene-bis(oxamato))]
  参考文献：
  名称：

  Cu（II）-双（oxamato）配合物的电子顺磁共振和密度泛函理论研究。

  摘要：

  在这项工作中，我们介绍了通过改变N，N'桥引起的电子和结构变化对Cu（II）-双（oxamato）配合物的磁性能的影响的研究。在本研究中，配合物[Cu（opba）]（2-）（1，opba =邻苯撑双（oxamato）），[Cu（nabo）]（2-）（2，nabo = 2,3-萘-bis（oxamato）），[Cu（acbo）]（2-）（3，acbo = 2,3-蒽醌-bis（oxamato）），[Cu（pba）]（2-）（4，pba =丙烯-bis（oxamato）），[Cu（obbo）]（2-）（5，obbo =邻苄基-bis（oxamato））和[Cu（npbo）]（2-）（6，npbo = 1，已将8-萘-双（恶唑）和相应的结构同构的Ni（II）配合物（8- 13）制成（（n）Bu 4N）（+）盐。新络合物（（n）Bu 4N）2 [Cu（R-bnbo）]。2H 2O（7，R-bnbo

  DOI：

  10.1021/ic702460t

文献信息

• Highly Stable Molecular Borromean Rings
  作者：Ye Lu、Yuejian Lin、Zhenhua Li、Guoxin Jin

  DOI：10.1002/cjoc.201700590

  日期：2018.2

  naphthazarine or metallaligand. Some of as‐synthesized BRs display high stability and are formed in high yields in solution. The reason is related to the length ratio of the long‐arm linker and short‐arm linker, where smaller aspect ratios of the metallarectangles promote improved stability and yields of the BRs in solution. Increasing the width of the metallaligand or pyridyl ligand hinders the formation of BRs

  从萘他扎林或金属配体制备了一系列基于Cp * Rh的分子Borromean环（BR）。一些合成的BR表现出很高的稳定性，并在溶液中以高收率形成。原因与长臂连接子和短臂连接子的长度比有关，其中较小的金属矩形长径比可提高溶液中BR的稳定性和产率。金属配体或吡啶基配体的宽度增加会阻碍BR的形成并导致未占据的单体矩形，这些矩形进一步被用作N-乙酰基咪唑与（4-（吡啶基-4-基）苯基）甲醇之间的酰基转移反应的催化剂。
• Spin density distribution in oxamato-type transition metal complexes
  作者：Björn Bräuer、Tobias Rüffer、Reinhard Kirmse、Jan Griebel、Florian Weigend、Georgeta Salvan

  DOI：10.1016/j.poly.2006.09.075

  日期：2007.6

  The spin density distribution of the paramagnetic [(Bu4N)-Bu-n](2)[Cu(dana)] dana = N,N'-(naphthalene-2,3-diyl)-bis(oxamato) has been derived from angular dependent electron paramagnetic resonance measurements at room temperature. The results indicate a noticeable spin density transfer from the central metal to the coordinated N and 0 atoms. Quantum chemical studies using density functional theory reinforce the results. (c) 2006 Elsevier Ltd. All rights reserved.
• Synthesis, characterization and magnetic properties of new homotrinuclear copper(II) complexes
  作者：Tobias Rüffer、Björn Bräuer、Annie K. Powell、Ian Hewitt、Georgeta Salvan

  DOI：10.1016/j.ica.2007.03.037

  日期：2007.8

  Two new mononuclear bis(oxamato) complexes with the formula [nBU(4)N](2)[M(nabo)] M = Ni (4), Cu (5), with nabo = 2,3-naphthalene-bis(oxamato) have been synthesized as precursors for trinuclear oxamato-bridged transition metal complexes. Starting from 5 the homo-trinuclear complex [CU3(nabo)(pmdta)(2)(BF4)](BF4) center dot MeCN center dot Et2O (7), with pmdta =N,N,N',N", N" -pentamethyldiethylenetriamine, has been prepared. The central N,N'-2,3-naphthalene bridge of 7 is so far the most extended pi-conjugated bridge of trinuclear bis(oxamato) type transition metal complexes. The goal of this work was to verify the N,N'-2,3-naphthalene bridge of 7 on its magnetic properties in comparison to the N,N'-o-phenylene bridge of the related homo-trinuclear complex [CU3(opba)(pmdta)(2)(NO3)](NO3) 2 MeCN (6) (opba = o-phenylene-bis(oxamato)). The crystal structures of 4-7 were solved. The magnetic properties of 6 and 7 were studied by susceptibility measurements versus temperature. For the intramolecular J parameter, values of -89 cm(-1) (6) and -113 cm(-1) (7) were obtained. The different J values are discussed based on the crystal structures of 6 and 7. (c) 2007 Elsevier B.V. All rights reserved.