dimethyl 4,4'-isophthaloylbis(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazole-1-carbodithioate) | 135755-54-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: dimethyl 4,4'-isophthaloylbis(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazole-1-carbodithioate)
• CAS: 135755-54-3
• 化学式: C₂₂H₂₆N₄O₄S₄
• 分子量: 538.737
• InChiKey: FUAFSJBMUMTZFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  105.8
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  dimethyl 4,4'-isophthaloylbis(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazole-1-carbodithioate) 、 copper(II) acetate monohydrate 在 pyridine 作用下， 以 乙醇 为溶剂， 生成 (C₆H₄){C(O)(C(C(CH₃)O))(C(CH₃)NNC(SCH₃)S)Cu(NC₅H₅)}2
  参考文献：
  名称：

  Synthesis, demetallation, remetallation and transmetallation of new mono- and binuclear schiff base complexes

  摘要：

  New mono- and binuclear nickel(II) complexes [PyNi(ONS-COPh)] and [PyNi(ONS-CO)]2-C6H4 have been prepared by a nucleophilic substitution reaction of the C-H methine-containing complex, mono-pyridine-S-methyl-N-acetylacetonehydrazine-carbodithioate nickel(II) [PyNi(HONS)], with benzoyl chloride and phthaloyl dichloride, respectively. Reaction of phenylisocyanate and m-xylene diisocyanate to [PyNi(HONS)] also gave new mono- and binuclear nickel(II) complexes, [PyNi(ONS-CONHPh)] and [PyNi(ONS-CONH)]2-m-xyl, respectively. The demetallation and transmetallation of the prepared nickel(II) complexes with Na2EDTA and copper(II) acetate monohydrate afford the corresponding mono- and binucleating ligands and mono- and binuclear copper(II) complexes, respectively. The conditions of the reliable demetallation and transmetallation reactions are described. The copper(II) complexes are also synthesized from the reaction of copper(II) acetate with the free ligands. All new compounds are characterized by various physical techniques. The mono- and binuclear nickel(II) and copper(II) complexes display magnetic and spectroscopic behaviour characteristic of square planar complexes. The ESR spectra of the mono- and binuclear copper(II) complexes are similar, indicating the absence of any magnetic coupling between the metal centres.

  DOI：

  10.1016/s0277-5387(00)83609-8

文献信息

• Bis[1,2-bis(dimethylphosphino)ethane] dichlorotungsten(II) and its reactions. X-ray crystal structures of bis[1,2-bis(dimethylphosphino) ethane]tetrachlorotungsten(V) hexachloroantimonate(V) and bis{bis[1,2-bis(dimethylphosphino)ethane] tetrahydroaluminatohydridomolybdenum(II)}
  作者：Vahé Saboonchian、Geoffrey Wilkinson、Bilquis Hussain-Bates、Michael B. Hursthouse

  DOI：10.1016/s0277-5387(00)83618-9

  日期：1991.1

  The reduction of WCl4(THF)2 by sodium naphthalenide in the presence of 1,2-bis(dimethylphosphino)ethane (DMPE) in tetrahydrofuran affords trans-WCl2(DMPE)2. Interaction of this complex with NaBPh4 in MeCN gives [WCl(η2-MeCN)(DMPE)2]BPh4 and with SbCl5 the tungsten(V) complex [WCl4(DMPE)2]SbCl6. The X-ray crystal structure of the latter shows the cation to have dodecahedral geometry with equatorial

  在1，2-双（二甲基膦基）乙烷（DMPE）存在下，在四氢呋喃中用萘钠还原WCl 4（THF）2得到反式-WCl 2（DMPE）2。此复合物与NaBPh的相互作用4在MeCN给出[WCL（η 2 -MeCN）（DMPE）2 ] BPH 4并用的SbCl 5钨（V）配合物[WCL 4（DMPE）2 ]的SbCl 6。后者的X射线晶体结构显示阳离子具有十二面体几何结构并带有赤道氯原子。反式-MCl 2（DMPE）的相互作用用LiAlH 4的2（M ＝ Mo和W）得到氢化铝氢化物[MH（AlH 4）（DMPE）2 ] 2，并且已经确定了钼化合物的X射线晶体结构。钨化合物的甲醇分解得到WH 4（DMPE）2。