| 1357011-39-2

• CAS: 1357011-39-2
• 化学式: C₃₇H₂₈ClNS₂Sn
• 分子量: 704.931
• InChiKey: ACRUPTNMUZAINE-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  1-芘甲醛 、 苄胺 在 sodium tetrahydroborate 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Chlorodiphenyltin(IV) dithiocarbamate complexes as chemodosimeters and host for anions and neutral compounds in solution

  摘要：

  The chlorodiphenyltin(IV) dithiocarbamate complexes 1-5 with general formula {(Ph2SnCl)dtc} (dtc = R1R2NCS2-; 1, R-1 = Bn, R-2 = 9-anthrylmethyl; 2, R-1 = Bn, R-2 = 9-phenanthrylmethyl; 3, R-1 = Bn, R-2 = 1-pyrenylmethyl; 4, R-1 = 1-naphthylmethyl, R-2 = 1-pyrenylmethyl; 5, R-1 = R-2 1-pyrenylmethyl) have been tested as host for anions and neutral amines in acetonitrile by spectrophotometric UV/Vis titrations. In addition, the titrations of the complexes 1 and 5 were studied in chloroform by H-1 and Sn-119 NMR spectroscopy. It was found that anions as acetate, benzoate, and dihydrogen phosphate cause a displacement of the dithiocarbamate ligands of metallic center independently of the aromatic nature of the substituents on the nitrogen atom functioning as chemodosimeters in which the indicator is displaced. However, some aliphatic amines and aromatic methylene amines and its aromatic analogs can act as guests with binding constants in the range of 10(3) to 10(6) M-1. Also, in these cases compound 5 functions as chemodosimeter without displacement of the indicator. According to H-1, C-13, Sn-119 NMR data and using DFT (B3LYP) and Poisson-Boltzmann (PB) to model the solvent, structures of the complexes are proposed in which the hydrophobic and pi-pi interactions are suggested as the dominant interactions. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2016.03.035

文献信息

• Effect of weak sulfur…C(π) interactions, and hydrogen bonds in supramolecular association of chlorodiphenyltin(IV) dithiocarbamate complexes: Study of their stability in solution
  作者：Adrian Tlahuext-Aca、Felipe Medrano、Hugo Tlahuext、Perla Román-Bravo、Carolina Godoy-Alcántar

  DOI：10.1016/j.poly.2011.11.022

  日期：2012.2

  Five new chlorodiorganotin(IV) complexes derived from dithiocarbamate ligands have been prepared and structurally characterized. The complexes 1-5 with the general formula (Ph2SnCl)dtc) (dtc = R1R2NCS2-: 1, R-1 = Bn, R-2 = 9-anthrylmethyl; 2, R-1 = Bn, R-2 = 9-phenanthrylmethyl; 3, R-1 = Bn, R-2 = 1-pyrenylmethyl; 4, R-1 =1-naphthylmethyl, R-2 = 1-pyrenylmethyl; 5, R-1 = R-2 = 1-pyrenylmethyl) have been obtained from Ph2SnCl2 and the sodium dithiocarbamate salts of benzyl(9-anthrylmethyl)amine, benzyl(9-phenanthrylmethyl)amine, benzyl(1-pyrenylmethyl)amine, 1-naphthylmethyl(1-pyrenylmethyl)amine and di(1-pyrenylmethyl)amine. Compounds 1-5 have been analyzed as far as possible by elemental analysis, FAB(+) mass spectrometry, IR, UV-Vis, fluorescence and NMR (H-1, C-13, Sn-119) spectroscopy, and single-crystal X-ray diffraction analysis (1-3). The solid-state and solution studies showed that the dtc ligands are coordinated to the tin atoms in the anisobidentate manner. In all cases the metal centers are five-coordinate. The coordination geometry is intermediate between square-pyramidal and trigonal-bipyramidal coordination polyhedra with tau-values in the range of 0.49-0.55. The crystal structures show the presence of C-H center dot center dot center dot Cl, C-H center dot center dot center dot S, C-H center dot center dot center dot pi, offset pi-pi and S center dot center dot center dot pi contacts. The stability of the (Ph2SnCl)drc complexes in the presence of the acetate anion has been examined in acetonitrile solutions. For all of these organotin(IV) complexes the displacement of the coordinated ligands (i.e., chloride and dtc) by the acetate anion was observed. The lability, as well as their intrinsic fluorescent properties of the polyaromatic moieties in these (Ph2SnCl)dtc compounds make them interesting candidates to detect the presence of O-donor anions at very low concentrations by displacement of the metal-coordinated dtc. Published by Elsevier Ltd.