| 475197-14-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• CAS: 475197-14-9
• 化学式: C₅₈H₆₄N₄O₄
• 分子量: 881.171
• InChiKey: CUHRFIRPNSFNFH-GBYGMJGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  66.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  130.36
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  、 manganese (II) acetate tetrahydrate 以 乙醇 、 乙腈 为溶剂， 反应 0.5h， 以76%的产率得到
  参考文献：
  名称：

  Iron(III) and manganese(III) complexes of a pseudocalixarene tetraiminotetraphenol macrocyclic ligand: Structure, magnetism and electrochemistry

  摘要：

  The pseudocalixarene tetraiminotetraphenol macrocyclic ligand H4L has been structurally characterized and used to synthesize the complexes [(Fe2L)-L-III(NO3)(2)(H2O)(2)] (1), [(Fe2L)-L-III(Cl)(2)](infinity) (2), [{(Fe2L)-L-III(mu-O)}(2)]center dot 2CH(3)CN center dot H2O (3), [(Mn2L)-L-III(Cl)(2)]center dot 3H(2)O (4) and [(Mn2L)-L-III(OAc)(2)]center dot 5H(2)O (5). The crystal structures of 3 and 4 have been determined. Variable-temperature (2-295 K) magnetic susceptibility measurements have been carried out for 3 and the data have been fitted to the spin Hamiltonian H = -2JS(1).S-2 with J = -45 cm(-1). Cyclic voltammetric measurements carried out for 1 in N,N-dimethylformamide have revealed the presence of two reversible redox couples with E-1/2 = -180 and -280 mV, which coalesced into a single couple with E-1/2 = -220 mV with the addition of excess NaNO3. The two manganese(III) complexes undergo quasi-reversible reduction in methanol at the same potential with E-1/2 = -240 mV. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.011
• 作为产物：
  描述：

  2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzaldehyde 在 palladium 10% on activated carbon 、 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 25.5h， 生成
  参考文献：
  名称：

  Iron(III) and manganese(III) complexes of a pseudocalixarene tetraiminotetraphenol macrocyclic ligand: Structure, magnetism and electrochemistry

  摘要：

  The pseudocalixarene tetraiminotetraphenol macrocyclic ligand H4L has been structurally characterized and used to synthesize the complexes [(Fe2L)-L-III(NO3)(2)(H2O)(2)] (1), [(Fe2L)-L-III(Cl)(2)](infinity) (2), [{(Fe2L)-L-III(mu-O)}(2)]center dot 2CH(3)CN center dot H2O (3), [(Mn2L)-L-III(Cl)(2)]center dot 3H(2)O (4) and [(Mn2L)-L-III(OAc)(2)]center dot 5H(2)O (5). The crystal structures of 3 and 4 have been determined. Variable-temperature (2-295 K) magnetic susceptibility measurements have been carried out for 3 and the data have been fitted to the spin Hamiltonian H = -2JS(1).S-2 with J = -45 cm(-1). Cyclic voltammetric measurements carried out for 1 in N,N-dimethylformamide have revealed the presence of two reversible redox couples with E-1/2 = -180 and -280 mV, which coalesced into a single couple with E-1/2 = -220 mV with the addition of excess NaNO3. The two manganese(III) complexes undergo quasi-reversible reduction in methanol at the same potential with E-1/2 = -240 mV. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.011

文献信息

• Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands
  作者：Wenxue Yang、Ke-Qing Zhao、Bi-Qin Wang、Carl Redshaw、Mark R. J. Elsegood、Jiang-Lin Zhao、Takehiko Yamato

  DOI：10.1039/c5dt03453a

  日期：——

  Products resulting from the reaction of MnCl₂ with [2 + 2] Schiff-base macrocycles have been structurally characterized, and were found to be poorly active for the ROP of ε-caprolactone.

  使用MnCl2与[2 + 2] Schiff-base大环化合物反应后得到的产物已被结构表征，发现其在ε-己内酯的环氧化聚合反应中活性较差。
• New macrocyclic ligands having discrete metal binding sites
  作者：Hisashi Shimakoshi、Hiroki Takemoto、Isao Aritome、Yoshio Hisaeda

  DOI：10.1016/s0040-4039(02)00923-1

  日期：2002.7

  New macrocyclic dinucleating ligands have been easily synthesized by Schiff-base condensation reaction with the appropriate aldehyde and amine using the boric ion template method. The ligands have two N2O2 metal-binding sites which are doubly linked to each other with methylene spacers. The ligands chelate with Co2+, Cu2+ and Ni2+ to form dimetallic compounds in high yields.

  使用硼离子模板法，通过与适当的醛和胺进行席夫碱缩合反应，可以轻松合成新的大环二核配体。所述配体具有两个N 2 O 2金属结合位点，所述两个N 2 O 2金属结合位点通过亚甲基间隔基彼此双重连接。所述配体与Co 2 +，Cu 2+和Ni 2+螯合以高产率形成双金属化合物。
• Redox-Switchable Molecular Containers Consisting of Dicobalt Complexes
  作者：H. Shimakoshi、T. Takemoto、I. Aritome、Y. Hisaeda

  DOI：10.1021/ic051482o

  日期：2005.12.1

  Doubly bridged dicobalt complexes with bidentate diamine ligands were synthesized and characterized by X-ray diffraction studies. Reversible formation and decomposition of the doubly bridged structure utilizing the redox couple between Co(II) and Co(III) were investigated by cyclic voltammetry and UV-vis.