[Ph3PBn][SCN] | 73041-37-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ph3PBn][SCN]
• 英文别名: benzyl-triphenyl-phosphonium; thiocyanate；Benzyl-triphenyl-phosphonium; Thiocyanat
• CAS: 73041-37-9
• 化学式: CNS*C₂₅H₂₂P
• 分子量: 411.507
• InChiKey: RRAQEXAIEQEOIU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  tris(pentafluorophenyl)(tetrahydrothiophene)gold(III) 、 [Ph3PBn][SCN] 以 二氯甲烷 为溶剂， 以80%的产率得到Ph3P(C6H5)[Au(pentafluorophenyl)3(SCN)]
  参考文献：
  名称：

  三（五氟苯基）金（III）络合物

  摘要：

  描述了通过用[Tl（C 6 F 5）2 Cl]氧化[Au（C 6 F 5）（tht）]来制备[Au（C 6 F 5）3（tht）]（tht =四氢噻吩）。。其他中性或阴离子不对称配体取代tht导致合成[Au（C 6 F 5）3 L] [L = NH 3，py，PMePh 2，P（OPh）3，AsPh 3，SbPh 3或CNC 6 H 4 Me- p ]或Q [Au（C 6 F 5）3 X] [Q = NEt 4，NBu 4，PPh 3（CH 2 Ph）或N（PPh 3）2；X ＝ Cl，I，SCN或N 3 ]。化合物[Au（C 6 H 5）3（CNC 6 H 4 Me- p）]加成胺，得到金（III）-卡宾络合物[Au（C 6 F 5）3 {C（NHC 6 H 4 Me - p）（NR 2）}]（NR 2 = NHC 6 H ^ 4ME- p，NET 2，或NHCH 2 CH 2 NH 2）。化合物[Au（C

  DOI：

  10.1039/dt9820001971
• 作为产物：
  描述：

  potassium thioacyanate 、 三苯基苄基溴化膦 以 乙腈 为溶剂， 反应 48.0h， 生成 [Ph3PBn][SCN]
  参考文献：
  名称：

  Lipophilic phosphonium–lanthanide compounds with magnetic, luminescent, and tumor targeting properties

  摘要：

  Multifunctional phosphonium-lanthanide compounds that simultaneously possess paramagnetism, luminescence, and tumor mitochondrial targeting properties were prepared by use of a facile method. These compounds were fully characterized by use of H-1, C-13, P-31 NMR, FT-IR, and elemental analyses. The thermal properties of these compounds including melting points and decomposition temperatures were investigated using DSC and TGA analyses. In addition, the paramagnetism, luminescence, and tumor targeting properties of these multifunctional compounds were confirmed by respective use of SQUID, fluorescence, and cell cytotoxicity studies. All compounds exhibited paramagnetism at room temperature, which could provide target delivery of these compounds to parts of the body containing tumor cells using a strong external magnetic field. In addition, these compounds display two major characteristic emissions originating from Dy3+, which can be utilized for imaging tumor cells. The IC50 values of these compounds measured against normal breast cell line (Hs578Bst) are significantly greater than those measured against the corresponding carcinoma breast cell line (Hs578T), clearly indicating the selective tumor targeting properties of these compounds. Confocal fluorescence microscopy studies were used to confirm the yellowish-green fluorescence corresponding to the emission of dysprosium thiocyanate anion within cancer cells upon exposure of cancer cell lines such as human pancreatic carcinoma cell line (MIAPaCa-2) and human breast carcinoma (MDA-MB-231) to a solution of these phosphonium-dysprosium compounds. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2011.09.035

文献信息

• Dihalo pentafluorophenyl tetrahydrothiophen gold(III) complexes, their preparation and reactions
  作者：R. Uson、A. Laguna、B. Bergareche

  DOI：10.1016/s0022-328x(00)93767-7

  日期：1980.1

  The complex Au(C6F5)(tht) undergoes oxidative addition when treated in solution with halogens, to give Au(C6F5)X2(tht) (X = Cl, Br or I). The tetrahydrothiophen ligand of the latter can be displaced by neutral or anionic ligands to give, respectively, the neutral complexes Au(C6F5)X2L (L = Group IVB, VB or VIB ligand) or the anionic complexes [Au(C6F5)X2X′]- (X′ = Cl or SCN).

  当用卤素溶液处理时，络合物Au（C 6 F 5）（tht）经历氧化加成，得到Au（C 6 F 5）X 2（tht）（X = Cl，Br或I）。后者的四氢噻吩配体可被中性或阴离子配体取代，分别得到中性络合物Au（C 6 F 5）X 2 L（L = IVB，VB或VIB组配体）或阴离子络合物[Au（ C 6 F 5）X 2 X'] -（X'= Cl或SCN）。
• Preparation and properties of stable mono-, tris-, tetrakis- or hexakis(pentahalophenyl)thalliate(III) complexes
  作者：R. Usón、A. Laguna、J.A. Abad

  DOI：10.1016/s0022-328x(00)96181-3

  日期：1980.8

  Reaction of TlR2X, TlX3 and [TlX4− with RLi ( R = C6F5 or C6Cl5) leads to derivatives containing anions of the types [TlR4]−, [TlR2R′2]− or [TlR6]3−. Reactions of TlCl3 with [TlR4]− lead to [(μ-Cl)(TlR2Cl)2]− (R = C6F5) or [TlRCl3]− (R = C6Cl5) while addition of X− (X = Br− or SCN−) to Tl(C6Cl5)3 gives [Tl- (C6Cl5)3X]−. All the novel anions were isolated as salts of bulky cations (Me4N, Bu4N, PPN or

  TLR的反应2 X，TLX 3和[TLX 4 -与RLi的（R = C 6 ˚F 5或C 6氯5）导致含有类型[TLR的阴离子衍生物4 ] -，[TLR 2 R' 2 ] -或[TlR 6 ] 3−。TlCl 3与[TlR 4 ] -的反应导致生成[（μ-Cl）（TlR 2 Cl）2 ] -（R = C 6 F 5）或[TlRCl 3 ]-（R = C 6氯5），而另外的X -（X = Br的-或SCN - ）至T（C 6氯5）3给出[TL-（C 6氯5）3 X] - 。分离出所有新型阴离子为大体积阳离子（Me 4 N，Bu 4 N，PPN或Ph 3 BzP）的盐。
• Tris(pentafluorophenyl)(tetrahydrothiophen)gold(III)
  作者：R. Usón、A. Laguna、M. Laguna、E. Fernandez

  DOI：10.1016/s0020-1693(00)80136-x

  日期：1980.1