2-Ethyl-1-oxyl-4,4,5,5-tetramethyl-Δ²-imidzolin-3-oxid | 21532-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 2-Ethyl-1-oxyl-4,4,5,5-tetramethyl-Δ²-imidzolin-3-oxid
• 英文别名: 2-ethyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl-3-N-oxide；NITEt；4,4,5,5-tetramethyl-2-ethyl-4,5-dihydro-1H-imidazolyl-3-oxide-1-oxyl；2-ethyl-4,4,5,5-tetramethyl-2-imidazoline-3-oxide-1-oxyl；2-ethyl-4,4,5,5-tetramethyl-4,5-dihydro-1-H-imidazole-3-oxide-1-oxyl
• CAS: 21532-85-4
• 化学式: C₉H₁₇N₂O₂
• 分子量: 185.246
• InChiKey: ZOOSSNLOABCPMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-Ethyl-1-oxyl-4,4,5,5-tetramethyl-Δ²-imidzolin-3-oxid 、 manganese(II) hexafluoroacetylacetonate dihydrate 以 正庚烷 为溶剂， 生成 (2-ethyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy 3-oxide) manganese hexafluoroacetonylacetate adduct
  参考文献：
  名称：

  Caneschi, Andrea; Gatteschi, Dante; Rey, Paul, Inorganic Chemistry, 1988, vol. 27, # 10, p. 1756 - 1761

  摘要：

  DOI：

文献信息

• Polynuclear CoII,III compounds containing pivalate and hexafluoroacetylacetonate anions in the ligand shell and their heterospin complexes with nitroxides
  作者：E. Yu. Fursova、O. V. Kuznetsova、V. I. Ovcharenko、G. V. Romanenko、A. S. Bogomyakov、M. A. Kiskin、I. L. Eremenko

  DOI：10.1007/s11172-010-0218-9

  日期：2010.6

  The reaction of cobalt(II) bis(hexafluoroacetylacetonate) (Co(hfac)2) with polynuclear CoII or CoII,III pivalates, [Na2Co4(OH)2(Piv)8(EtOH)4], [Co2(H2O)(Piv)4(HPiv)4], and [CoIII2CoII4(O)2(Piv)10(H2O)(THF)3]·1.5THF (Piv is pivalate), affords the previously unknown cobalt compounds containing coordinated Piv and hfac anions in the ligand shell, viz., the dinuclear complex [Na2Co2(hfac)4(Piv)2(Me2CO)4]

  双六氟乙酰丙酮钴 (II) (Co(hfac)2) 与多核 CoII 或 CoII,III 新戊酸酯 [Na2Co4(OH)2(Piv)8(EtOH)4]、[Co2(H2O)(Piv) 的反应)4(HPiv)4] 和 [CoIII2CoII4(O)2(Piv)10( )(THF)3]·1.5THF（Piv 是新戊酸盐），提供了以前未知的含有配位 Piv 和 hfac 阴离子的钴化合物配体壳，即双核配合物 [Na2Co2(hfac)4(Piv)2(Me2CO)4]、四核配合物 [Co4(Piv)4(hfac)2(OH)2(HPiv)4]·HPiv，和十四核复合物 [CoIII4CoII10(Piv)10(hfac)4(OH)14(O)2(HPiv)4]·2HPiv·2 ·3C7H16，分别。十四核复合物具有从溶液中沉淀氮氧化物的不寻常能力，因此合成了以下新的异旋晶固体：[Co14(P
• Heterospin complexes of fluorinated dinuclear CuII and MnII triketonates with nitroxides
  作者：V. I. Ovcharenko、S. V. Fokin、G. V. Romanenko、A. S. Bogomyakov、D. S. Yachevskii、D. L. Chizhov、V. N. Charushin、O. N. Chupakhin

  DOI：10.1007/s11172-010-0219-8

  日期：2010.6

  Dinuclear heterospin complexes of CuII and MnII 1,1,1,7,7,7-hexafluoroheptane-2,4,6-trionates ([Cu2L2] and [Mn2L2], respectively) with nitronyl nitroxides 2-R-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide 1-oxyls (NIT-R, R = H, Me, Et, m-C5H4N, m-NCC6H4, p-NCC6H4, PzMe) and the diradical NIT-Pz-(CH2)4-Pz-NIT (Pz is 1,4-pyrazolylene) were synthesized and structurally characterized. In the complexes under study, the CuII atom tends to have the square-pyramidal coordination environment, and the MnII atom is in an octahedral environment. The magnetochemical investigation of the compounds in the temperature range of 2–300 K showed that the antiferromagnetic exchange coupling dominates in the [Cu2L2] molecules, whereas this coupling in [Mn2L2] is manifested in the experimental plot μeff(T) at T < 100 K. The magnetic properties of the heterospin complexes of [Cu2L2] with NIT-R are also determined by the intramatrix antiferromagnetic exchange coupling. For the complexes of [Mn2L2] with NIT-R, the coordination mode of the nitroxide plays a decisive role.

  CuII 和 MnII 1,1,1,7,7,7-六氟庚烷-2,4,6-三元酸酯（分别为 [Cu2L2] 和 [Mn2L2]）与硝基硝基氧 2-R-4,4 的双核异旋配合物， 5,5-四甲基-4,5-二氢-1H-咪唑-3-氧化物1-氧基（NIT-R，R = H，Me，Et，m-C5H4N，m-NCC6H4，p-NCC6H4，PzMe）和合成了双自由基NIT-Pz-(CH2)4-Pz-NIT（Pz是1,4-亚吡唑基）并进行了结构表征。在所研究的配合物中，CuII原子倾向于具有方锥体配位环境，并且MnII原子处于八面体环境中。在 2–300 K 温度范围内对化合物的磁化学研究表明，反铁磁交换耦合在 [Cu2L2] 分子中占主导地位，而 [Mn2L2] 中的这种耦合在 T < 100 时的实验曲线 μeff(T) 中得到体现K. [Cu2L2] 与 NIT-R 的异旋复合物的磁性也由基质内反铁磁交换耦合决定。对于[Mn2L2]与NIT-R的配合物，硝基氧的配位方式起着决定性的作用。
• Syntheses and Magnetic Properties of Ruthenium(II,III) Pivalate Dimers Axially Coordinated by Nitronyl Nitroxide Radicals [Ru₂(O₂CCMe₃)₄(L)₂]BF₄and [{Ru₂(O₂CCMe₃)₄(L)₂}{Ru₂(O₂CCMe₃)₄(H₂O)₂}]<i>_n</i>(BF₄)_2<i>n</i>, L = 2,4,4,5,5-Pentamethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl-3-<i>N</i>-oxide and 2-Ethyl-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl-3-<i>N</i>-oxide
  作者：Yasuyoshi Sayama、Makoto Handa、Masahiro Mikuriya、Ichiro Hiromitsu、Kuninobu Kasuga

  DOI：10.1246/bcsj.76.769

  日期：2003.4

  The reaction of [Ru2II,III(O2CCMe3)4]BF4 with nitronyl nitroxide radicals (2,4,4,5,5-pentamethyl-4,5-dihydro-1H-imidazol-1-oxyl-3-N-oxide (nitme) and 2-ethyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl-3-N-oxide (nitet)) in CH2Cl2/hexane gave dimer and chain complexes [Ru2(O2CCMe3)4(L)2]BF4 and [Ru2(O2CCMe3)4(L)2}Ru2(O2CCMe3)4(H2O)2}]n(BF4)2n (L = nitme and nitet). The latter complexes have a chain structure formed by hydrogen bonds between the axial radical ligands and the water molecules. It was shown that the antiferromagnetic interaction between the coordinated radicals through the Ru–Ru bond as well as the ferromagnetic interaction between the radical and the Ru(II,III) dimeric core are operative for all of the complexes. Both of the magnetic interactions were concluded to result from their axial Ru–Oax–N bond angles being close to 120°. The hydrogen bonds were not found to be magnetically important in the chain complexes.

  在 CH2Cl2/hexane 中，[Ru2II,III(O2CCMe3)4] 与硝酰基（2,4,4,5,5-五甲基-4,5-二氢-1H-咪唑-1-氧代-3-N-氧化物（nitme）和 2-乙基-4,4,5,5-四甲基-4、5-二氢-1H-咪唑-1-氧代-3-N-氧化物（nitet））在 /hexane 中的反应生成了二聚体和链状复合物 [Ru2(O2CCMe3)4(L)2] 和 [Ru2(O2CCMe3)4(L)2}Ru2(O2CCMe3)4(H2O)2}]n(BF4)2n （L = nitme 和 nitet）。后一种配合物具有由轴向自由基配体和水分子之间的氢键形成的链状结构。研究表明，配位基之间通过 Ru-Ru 键产生的反铁磁作用以及配位基与 Ru(II,III) 二聚体核心之间的铁磁作用对所有配合物都有效。这两种磁性相互作用都是由于它们的轴向 Ru-Oax-N 键角度接近 120°。在链状配合物中，氢键的磁性并不重要。
• Heterospin compounds based on the [Mn6(O)2Piv10] cluster unit and nitroxides
  作者：Elena Fursova、Victor Ovcharenko、Ksenia Nosova、Galina Romanenko、Vladimir Ikorskii

  DOI：10.1016/j.poly.2005.03.022

  日期：2005.11

  Synthetic procedures have been developed to prepare heterospin compounds based on the [Mn-6(O)(2)Piv(10)] polymetallic nucleus, where Piv = (CH3)(3)CCO2-, and nitronyl nitroxides NIT-R, where R = H, Et, p-Py, n-butyl-pyrazole: [Mn-6(O)(2)Piv(10)-(NIT-H)(4)] (.) 0.5CH(2)Cl(2,) [Mn-6(O)(2)Piv(10)(NIT-Et)(3)HPiv] (.) 0.5C(7)H(16), [(EtOAc)(3)Mn-6(O)(2)Piv(10)(Ac-Ac)-Mn-6(O)(2)Piv(10)(EtOAc)(3)], [Mn-6(O)(2)Piv(10)(Me2CO)(2)(H2O)], [Mn-6(O)(2)Piv(10)(NIT-Et)(4)] . 0.5C(7)H(16), [Mn-6(O)(2)Piv(10)(NIT-p-Py)(2)(H2O)], [Mn-6(O)(2)Piv(NIT-n-Bu-Pz)(Thf)(H2O)The structure of these compounds has been Studied. To obtain highly dimensional structures demands structural cornplementarity of the [Mn-6(O)(2)PiV(10)] and NIT-R nuclei, which is only possible when R = CH3. (c) 2005 Elsevier Ltd. All rights reserved.
• Benelli; Caneschi; Gatteschi, Inorganic Chemistry, 1989, vol. 28, # 2, p. 275 - 280
  作者：Benelli、Caneschi、Gatteschi、Pardi、Rey

  DOI：——

  日期：——