1,2-bis(2-(4-chlorobenzylideneamino)phenylthio)ethane | 188492-11-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,2-bis(2-(4-chlorobenzylideneamino)phenylthio)ethane
• 英文别名: N,N'-bis(4-chlorobenzylidene)-1,2-bis(2-aminophenylthio)ethane；1-(4-chlorophenyl)-N-[2-[2-[2-[(4-chlorophenyl)methylideneamino]phenyl]sulfanylethylsulfanyl]phenyl]methanimine
• CAS: 188492-11-7
• 化学式: C₂₈H₂₂Cl₂N₂S₂
• 分子量: 521.534
• InChiKey: LFAAFMFARIKOTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(l) iodide 、 1,2-bis(2-(4-chlorobenzylideneamino)phenylthio)ethane 以 乙腈 为溶剂， 以76%的产率得到[Cu2(μ-I)2(μ-N,N'-bis(4-chlorobenzylidene)-1,2-bis(aminophenylthio)ethane)]
  参考文献：
  名称：

  Synthesis and structural characterization of a flexible tetradentate ligand and its copper(I) coordination polymers

  摘要：

  A tetradendate Schiff-base ligand, N,N'-bis-(4-chlorobenzylidene)-1,2-bis(2-aminophenylthio)ethane, L, and its copper(I) coordination polymers, [Cu-2(mu-I)(2)-mu-L](n)center dot 2n(CH3CN), LCuIS, and [Cu-2(mu-Cl)(2)-mu-L](n), were prepared. The products were characterized via their analytical and spectral properties. The crystal structures of the ligand molecule, L, and the complex, LCuIS, were determined by single-crystal X-ray diffraction methods. In both the free molecule and the complex, L adopts an anti, staggered, extended conformation. In LCuIS, prepared from L and CuI in acetonitrile, each Cu atom has a distorted tetrahedral coordination sphere composed of a nitrogen atom and a sulfur atom from L and two iodine ligands. LCuIS is a sheet polymer, formed from coordination polymer chains containing the dimetal clusters Cu-2(mu-I)(2); the chains are crosslinked through pi center dot center dot center dot pi interactions of phenyl rings. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.06.050
• 作为产物：
  描述：

  2,2-(乙烯二硫代)二苯胺 、 4-氯苯甲醛 以 乙醇 为溶剂， 生成 1,2-bis(2-(4-chlorobenzylideneamino)phenylthio)ethane
  参考文献：
  名称：

  Bag; De; Das, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1997, vol. 36, # 7, p. 578 - 582

  摘要：

  DOI：

文献信息

• Synthesis and spectroscopic characterization of binuclear thioazomethine palladacycles
  作者：P. Chattopadhyay、M.K. Nayak、S.P. Bhattacharyya、C. Sinha

  DOI：10.1016/s0277-5387(96)00422-6

  日期：1997.1

  Several 1,2-bis(2-thio(N-benzylidene)anilines)ethane [(RC(6)H(4)CH = NC6H4SCH2)(2)] (4) and 1,3-bis(2-thio(N-benzylidene)anilines)propane [(RC(6)H(4)CH = NC6H4SCH2)(2))(2)CH2] (5), R = H (a), 11-CH3 (b), 11-OCH3 (c), 11-Cl (d) and 11-NO2 (e)] have been synthesized and reacted with Pd(OAc)(2) in boiling benzene. The binuclear cyclopalladated acetato complexes (8/9) thus obtained reacted with LiCl, giving the chloro complexes having the coordination sphere [Pd(C,N,S)Cl-2](2) (10/11). The mod of ligand binding was established using high-resolution H-1 NMR and IR data. Copyright (C) 1997 Elsevier Science Ltd.