(2,2,3,9,10,10-hexamethyl-5,7-dioxa-6-hydra-1,4,8,11-tetraazacyclotetradeca-3,8,11,13-tetraene)nickel(II) | 18195-22-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2,2,3,9,10,10-hexamethyl-5,7-dioxa-6-hydra-1,4,8,11-tetraazacyclotetradeca-3,8,11,13-tetraene)nickel(II)
• CAS: 18195-22-7
• 化学式: C₁₃H₂₂N₄NiO₂
• 分子量: 325.033
• InChiKey: WONUFCCTAMZWLU-JNTZRIOGSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (2,2,3,9,10,10-hexamethyl-5,7-dioxa-6-hydra-1,4,8,11-tetraazacyclotetradeca-3,8,11,13-tetraene)nickel(II) 在 NaNO₂ 、 HCl 、 NaHCO₃ 作用下， 以 乙腈 为溶剂， 以80%的产率得到12-nitroso-(1,1,2,8,9-hexamethyl-3,7,10,14-tetraaza-4,6-oxa-5-hydra-tetradeca-2,7,10,12-tetrene)nickel(II)
  参考文献：
  名称：

  Structural studies on products of reduction of a nitro-Ni1C3N2-metallocene

  摘要：

  The reduction of 12-nitro-(1,1,2,8,9,9-hexamethyl-3,7,10,14-tetraaza-4,6-oxa-5-hydra-tetradeca-2,7,10,12-tetrene)nickel(II) (Nioyl-NO2), with Zn(s) and NaOH or HCl solution or utilizing Pd-H-2 under most conditions produces an intensely purple complex ion epsilon((max)) at 552 nm which is not the expected amine. This product was found to be a conjugated dimer ion with two Nioyls multiply bonded to a single nitrogen atom. It was shown that the initial reduction produces the amine or amine hydrochloride which oxidizes rapidly in the presence of traces of O-2 under low acidity conditions to the dimer. Under high acidity conditions the amine salt is isolated. The X-ray crystal structures of three complexes are described: [(Nioyl)(2)NH](ClO4)(2) . 2.5CCl(4), [(Nioyl-NH3)(2)H]ZnCl(4)Cl3H(2)O, [Nioyl-NH3]H-0.5(ClO4)(1.5) . 2CH(3)CN . 2H(2)O and structural differences are discussed. The 2e(-) reduction of [(Nioyl)(2)N](+) with dithionite ion reversibly gives the yellow [(Nioyl)(2)NH](+) which is extremely sensitive to air oxidation. A postulated reaction sequence is presented and discussed to explain the formation of the highly stable conjugated dimeric purple product.

  DOI：

  10.1016/0020-1693(95)04535-x

文献信息

• Unusual reactivity of a quasi-aromatic Ni(II),2N,3C heterocycle
  作者：R.Kent Murmann、Elmer O. Schlemper、Michael S. Tempesta

  DOI：10.1016/s0277-5387(00)84574-x

  日期：1986.1