p-(PhS(=NH))(PhS)C6H4 | 498534-08-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: p-(PhS(=NH))(PhS)C6H4
• 英文别名: 1,4-PhS(NH)C6H4SPh；Imino-phenyl-(4-phenylsulfanylphenyl)-lambda4-sulfane；imino-phenyl-(4-phenylsulfanylphenyl)-λ4-sulfane
• CAS: 498534-08-0
• 化学式: C₁₈H₁₅NS₂
• 分子量: 309.456
• InChiKey: CRLOCBWFLRMXKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  trans-[PtCl4(propiononitrile)2] 、 p-(PhS(=NH))(PhS)C6H4 以 二氯甲烷 为溶剂， 生成 trans-[PtCl₄(NH=C(Et)N=S(Ph)(p-C₆H₄SPh))2]*3H₂O
  参考文献：
  名称：

  铂（IV）介导的腈-磺酰亚胺偶联：杂二氮杂二烯的途径。

  摘要：

  由Pt（IV）介导的S = NH基团将硫化亚胺Ph2S = NH和混合硫化物/硫化亚胺o-和p- [PhS（= NH）]（PhS）-C6H4加到金属键合的腈中铂（IV）配合物[PtCl4（RCN）2]在室温下于CH2Cl2中平稳进行，并导致杂二氮杂二烯化合物[PtCl4 [NH = C（R）N = SR'Ph] 2]的形成（R'= Ph ，R ＝ Me，Et，CH 2 Ph，Ph； R′＝ o-和p-（PhS）C 6 H 4； R ＝ Et）。反式-[PtCl4（RCN）2]（R = Et，CH2Ph，Ph）与Ph2S = NH的反应仅导致反式-[PtCl4 [NH = C（R）N = SPh2] 2]，顺式/反式-[ PtCl4（MeCN）2]生成[PtCl4 [NH = C（Me）N = SPh2] 2]的顺式/反式混合物，后者已通过柱色谱分离。[PtCl4 [NH = C（Me）N =

  DOI：

  10.1021/ic025960w

文献信息

• Nucleophilic addition of bifunctional sulfimidosulfides to platinum(IV)-coordinated nitriles
  作者：A. V. Makarycheva-Mikhailova、S. I. Selivanov、N. A. Bokach、V. Yu. Kukushkin、P. F. Kelly、A. J. L Pombeiro

  DOI：10.1007/s11172-005-0017-x

  日期：2004.8

  Reactions of the platinum(IV) nitrile complexes [PtCl4(RCN)2] (R = Me, CH2Ph, Ph) with 1,2- and 1,4-PhS(=NH)C6H4SPh in CH2Cl2 afforded addition products of sulfimides and coordinated nitriles, viz., the [PtCl4NH=C(R)N=S(Ph)(C6H4SPh)}2] complexes. The latter were isolated in 75—90% yields and characterized by elemental analysis, positive-ion FAB mass spectrometry, IR spectroscopy, and 1H and 13C1H NMR spectroscopy. The temperature dependence of the 1H NMR spectra of the model [PtCl4NH=C(R)N=SPh2}2] complexes (R = Me, Et) in CD2Cl2 studied in a temperature range from +40 to -70 °C demonstrated that E—Z isomerization of the ligands is a dynamic process in a range from +40 to -10 °C. The activation free energy of this process was calculated.

  铂(IV)腈络合物[PtCl4(RCN)2] (R = Me, CH2Ph, Ph)与1,2-和1,4-PhS(=NH)C6H4SPh在CH2Cl2中反应，得到硫酰亚胺和配位化合物的加成产物腈，即 [PtCl4NH=C(R)N=S(Ph)(C6H4SPh)}2] 配合物。后者的分离产率为 75-90%，并通过元素分析、正离子 FAB 质谱、红外光谱以及 1H 和 13C1H NMR 光谱进行表征。在 +40 至 -70 °C 的温度范围内研究的 CD2Cl2 中模型 [PtCl4NH=C(R)N=SPh2}2] 配合物 (R = Me, Et) 的 1H NMR 光谱的温度依赖性配体的E—Z异构化是+40至-10°C范围内的动态过程。计算了该过程的活化自由能。
• Platinum(IV)-Mediated Nitrile−Sulfimide Coupling:  A Route to Heterodiazadienes
  作者：Anastassiya V. Makarycheva-Mikhailova、Nadezhda A. Bokach、Vadim Yu. Kukushkin、Paul F. Kelly、Liam M. Gilby、Maxim L. Kuznetsov、Kathryn E. Holmes、Matti Haukka、Jonathan Parr、Julia M. Stonehouse、Mark R. J. Elsegood、Armando J. L. Pombeiro

  DOI：10.1021/ic025960w

  日期：2003.1.1

  heterodiazadiene ligands, formed upon Pt(IV)-mediated RCN/sulfimide coupling, can be liberated from their platinum(IV) complexes [PtCl4[NH=C(R)N=SR'Ph]2] by reaction with Ph2PCH2CH2PPh2 (dppe) giving free NH=C(R)=SR'Ph and the dppe oxides, which constitutes a novel route for such rare types of heterodiazadienes whose number has also been extended. The hybrid sulfide/sulfimide species o- and p-[PhS(=NH)](PhS)C6H4

  由Pt（IV）介导的S = NH基团将硫化亚胺Ph2S = NH和混合硫化物/硫化亚胺o-和p- [PhS（= NH）]（PhS）-C6H4加到金属键合的腈中铂（IV）配合物[PtCl4（RCN）2]在室温下于CH2Cl2中平稳进行，并导致杂二氮杂二烯化合物[PtCl4 [NH = C（R）N = SR'Ph] 2]的形成（R'= Ph ，R ＝ Me，Et，CH 2 Ph，Ph； R′＝ o-和p-（PhS）C 6 H 4； R ＝ Et）。反式-[PtCl4（RCN）2]（R = Et，CH2Ph，Ph）与Ph2S = NH的反应仅导致反式-[PtCl4 [NH = C（R）N = SPh2] 2]，顺式/反式-[ PtCl4（MeCN）2]生成[PtCl4 [NH = C（Me）N = SPh2] 2]的顺式/反式混合物，后者已通过柱色谱分离。[PtCl4 [NH = C（Me）N =