N-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]morpholine-4-carbothioamide | 375368-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: N-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]morpholine-4-carbothioamide
• CAS: 375368-27-7
• 化学式: C₁₉H₂₃N₅OS
• 分子量: 369.491
• InChiKey: BWDGDRIJXNYGDL-UHFFFAOYSA-N

物化性质

• 熔点：
  159-162 °C
• 沸点：
  546.7±60.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  84.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三苯基膦氯金 、 N-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]morpholine-4-carbothioamide 在 trimethylamine 作用下， 以 甲醇 、 水 为溶剂， 以92%的产率得到Ph3PAuSC(=NC6H4N=NC6H4NMe2)N(CH2CH2)2O
  参考文献：
  名称：

  Synthesis, characterisation, supramolecular aggregation and biological activity of phosphine gold(I) complexes with monoanionic thiourea ligands

  摘要：

  A series of phosphine gold(I) complexes containing monoanionic thiourea ligands has been synthesised by reaction of the appropriate precursor chloro complex, Ph3PAuCl, Cy3PAuCl, dppf(AuCl)(2) [dppf = Fe(eta(5)-C5H4PPh2)(2)] or dppe(AuCI)2 (dppe = Ph2PCH2CH2PPh2) with the thiourea and Me3N base in methanol solution. The complexes have been fully characterised by elemental analysis, NMR spectrometry, electrospray mass spectrometry, and in several cases, by single-crystal X-ray diffraction studies. The crystallographic studies show that the ligands coordinate as a thiolate in each case with systematic variations in geometric parameters being readily ascribed to the influence of the N-bound substituents. In four of the structures, discernable supramolecular aggregation patterns are evident, leading to loosely associated dimers or chain motifs, the latter mediated by either An...S, N-H...N or C-H...O interactions. Cytotoxicity data, against the P388 leukemia cell line, and anti-microbial data are also reported. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.07.046

文献信息

• Platinum(II) complexes of chelating and monodentate thiourea monoanions incorporating chiral, fluorescent or chromophoric groups
  作者：William Henderson、Brian K. Nicholson、Clifton E.F. Rickard

  DOI：10.1016/s0020-1693(01)00473-x

  日期：2001.8

  with triethylamine base, followed by addition of NaBPh4 gives the salts [PtSC(NR1R2)NR3}(PPh3)2]BPh4 in high yield; a range of thiourea substituents, including chiral, fluorescent and chromophoric groups can be incorporated. The azo dye-derived complex [PtSC(N(CH2CH2)2O)NC6H4NNC6H4NMe2}(PPh3)2]BPh4 has been characterised by a single-crystal X-ray diffraction study. The formation of a fluorescein-derivatised

  摘要顺式-[PtCl2（PPh3）2]与三取代硫脲[R1R2NC（S）NHR3]在回流的甲醇中与三乙胺碱反应，然后添加NaBPh4得到盐[Pt SC（NR1R2）NR3}（ PPh3）2] BPh4高产；可以引入许多硫脲取代基，包括手性，荧光和发色基团。偶氮染料衍生的配合物[Pt SC（N（CH2CH2）2O）NC6H4NNC6H4NMe2}（PPh3）2] BPh4的特征在于单晶X射线衍射研究。还描述了荧光素衍生的铂-硫脲复合物的形成。顺式[[PtCl2（PPh3）2]与PhNHC（S）NHPh或EtNHC（S）NHEt，三乙胺和NaBPh4的反应分别得到[Pt SC（NHPh）NPh}（PPh3）2] +和已知的阳离子[Pt SC（= NHEt）NEt}（PPh3）2] +，以四苯基硼酸盐的形式分离。顺式-[PtCl2（PPh3）2]与过量的Na [MeNHC（S）N
• Synthesis, characterisation, supramolecular aggregation and biological activity of phosphine gold(I) complexes with monoanionic thiourea ligands
  作者：William Henderson、Brian K. Nicholson、Edward R.T. Tiekink

  DOI：10.1016/j.ica.2005.07.046

  日期：2006.1

  A series of phosphine gold(I) complexes containing monoanionic thiourea ligands has been synthesised by reaction of the appropriate precursor chloro complex, Ph3PAuCl, Cy3PAuCl, dppf(AuCl)(2) [dppf = Fe(eta(5)-C5H4PPh2)(2)] or dppe(AuCI)2 (dppe = Ph2PCH2CH2PPh2) with the thiourea and Me3N base in methanol solution. The complexes have been fully characterised by elemental analysis, NMR spectrometry, electrospray mass spectrometry, and in several cases, by single-crystal X-ray diffraction studies. The crystallographic studies show that the ligands coordinate as a thiolate in each case with systematic variations in geometric parameters being readily ascribed to the influence of the N-bound substituents. In four of the structures, discernable supramolecular aggregation patterns are evident, leading to loosely associated dimers or chain motifs, the latter mediated by either An...S, N-H...N or C-H...O interactions. Cytotoxicity data, against the P388 leukemia cell line, and anti-microbial data are also reported. (c) 2005 Elsevier B.V. All rights reserved.