(phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid | 1354910-99-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid
• 英文别名: [2-C5H4N]CH2P(S)(SH)-(Ph)；Phenyl-(pyridin-2-ylmethyl)-sulfanyl-sulfidophosphanium；phenyl-(pyridin-2-ylmethyl)-sulfanyl-sulfidophosphanium
• CAS: 1354910-99-8
• 化学式: C₁₂H₁₂NPS₂
• 分子量: 265.34
• InChiKey: CQHQMVSSGVNNTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  14.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid 、 cadmium(II) chloride 以 甲醇 、 氯仿 为溶剂， 以90%的产率得到(CdCl2((phenyl)(pyridin-2-ylmethyl)phosphinodithiolic acid))2
  参考文献：
  名称：

  Synthesis and metal coordination chemistry of (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H4N]CH2P(S)(SH)(Ph)

  摘要：

  A three-step synthesis for the bifunctional ligand (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H4N]CH2P(S)(SH)(Ph) (3-H), was developed. The molecule was characterized by spectroscopic methods, and single crystal X-ray diffraction analysis, and the molecule found to exist in a zwitterionic form (3'). Protonation constants for 3' were measured spectrophotometrically in 0.1 M NaClO4 aqueous solution. The coordination chemistry of 3' toward CdCl2 and PtCl2 was explored, and the complexes [Cd(3')Cl-2](2) and [Pt(3(-))(2)]center dot CHCl3 were isolated and structurally characterized by single crystal X-ray diffraction methods. Complexation constants for 3' with Cd(II), Zn(II) and La(III), as a function of pH, were measured by titration techniques. An initial effort to prepare the [pyridin-bis(2,6-yl-methylphosphinodithioic acid)1 analog of 3-H led to the formation and isolation of (phenyl)(6-methylpyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H3N(6-CH3)[CH2P(S)(SH)(Ph) (6-H), that was characterized by spectroscopic methods and single crystal X-ray diffraction analysis. As found with 3-H, 6-H, adopts a zwitterionic structural form (6'). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.11.041
• 作为产物：
  描述：

  苯基膦酸二乙酯 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 二异丁基氢化铝 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 21.17h， 生成 (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid
  参考文献：
  名称：

  Synthesis and metal coordination chemistry of (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H4N]CH2P(S)(SH)(Ph)

  摘要：

  A three-step synthesis for the bifunctional ligand (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H4N]CH2P(S)(SH)(Ph) (3-H), was developed. The molecule was characterized by spectroscopic methods, and single crystal X-ray diffraction analysis, and the molecule found to exist in a zwitterionic form (3'). Protonation constants for 3' were measured spectrophotometrically in 0.1 M NaClO4 aqueous solution. The coordination chemistry of 3' toward CdCl2 and PtCl2 was explored, and the complexes [Cd(3')Cl-2](2) and [Pt(3(-))(2)]center dot CHCl3 were isolated and structurally characterized by single crystal X-ray diffraction methods. Complexation constants for 3' with Cd(II), Zn(II) and La(III), as a function of pH, were measured by titration techniques. An initial effort to prepare the [pyridin-bis(2,6-yl-methylphosphinodithioic acid)1 analog of 3-H led to the formation and isolation of (phenyl)(6-methylpyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H3N(6-CH3)[CH2P(S)(SH)(Ph) (6-H), that was characterized by spectroscopic methods and single crystal X-ray diffraction analysis. As found with 3-H, 6-H, adopts a zwitterionic structural form (6'). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.11.041

文献信息

• Synthesis and metal coordination chemistry of (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H4N]CH2P(S)(SH)(Ph)
  作者：Manab Chakravarty、Sylvie Pailloux、S. Ouizem、K.A. Smith、Eileen N. Duesler、Robert T. Paine、Neil J. Williams、Robert D. Hancock

  DOI：10.1016/j.poly.2011.11.041

  日期：2012.2

  A three-step synthesis for the bifunctional ligand (phenyl)(pyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H4N]CH2P(S)(SH)(Ph) (3-H), was developed. The molecule was characterized by spectroscopic methods, and single crystal X-ray diffraction analysis, and the molecule found to exist in a zwitterionic form (3'). Protonation constants for 3' were measured spectrophotometrically in 0.1 M NaClO4 aqueous solution. The coordination chemistry of 3' toward CdCl2 and PtCl2 was explored, and the complexes [Cd(3')Cl-2](2) and [Pt(3(-))(2)]center dot CHCl3 were isolated and structurally characterized by single crystal X-ray diffraction methods. Complexation constants for 3' with Cd(II), Zn(II) and La(III), as a function of pH, were measured by titration techniques. An initial effort to prepare the [pyridin-bis(2,6-yl-methylphosphinodithioic acid)1 analog of 3-H led to the formation and isolation of (phenyl)(6-methylpyridin-2-ylmethyl)phosphinodithioic acid, [2-C5H3N(6-CH3)[CH2P(S)(SH)(Ph) (6-H), that was characterized by spectroscopic methods and single crystal X-ray diffraction analysis. As found with 3-H, 6-H, adopts a zwitterionic structural form (6'). (C) 2011 Elsevier Ltd. All rights reserved.