3-[(diphenylphosphorothioyl)-methyl]-benzene-1,2-diol | 1318239-75-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-[(diphenylphosphorothioyl)-methyl]-benzene-1,2-diol
• 英文别名: 3-((diphenylphosphorothioyl)-methyl)-benzene-1,2-diole；(2,3-Dihydroxyphenyl)methyl-diphenyl-sulfidophosphanium；(2,3-dihydroxyphenyl)methyl-diphenyl-sulfidophosphanium
• CAS: 1318239-75-6
• 化学式: C₁₉H₁₇O₂PS
• 分子量: 340.383
• InChiKey: IPBWFDVZAPMWJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 3-[(diphenylphosphorothioyl)-methyl]-benzene-1,2-diol 以 二氯甲烷 为溶剂， 以76%的产率得到AuCl(3-((diphenylphosphorothioyl)-methyl)-benzene-1,2-diole)
  参考文献：
  名称：

  Different coordination behavior of a catechol phosphine and its sulfide: Formation of an unprecedented dinuclear rhodium complex with a non-coordinated PS unit

  摘要：

  Sulfurization of 3-[(diphenylphosphinyl)methyl]benzene-1,2-diol 1 produced phosphine sulfide 3. Both ligands reacted easily to form gold(I) and rhodium(I) complexes which were characterized by analytical and spectroscopic data, and single-crystal X-ray diffraction studies. Whereas the phosphine prefers to form complexes with a metal-to-ligand ratio of 1:2 with both metals, the phosphine sulfide exhibits a reduced donor power and yields only a 1:1 complex with AuCl. With rhodium(I), formation of a homobimetallic complex with a metal-to-ligand ratio of 2:1 was found. This complex displays an unusual coordination of both metal atoms to the catechol moiety whereas the phosphine sulfide moiety remains inactive. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.076
• 作为产物：
  描述：

  3-[(diphenylphosphanyl)methyl]benzene-1,2-diol 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以86%的产率得到3-[(diphenylphosphorothioyl)-methyl]-benzene-1,2-diol
  参考文献：
  名称：

  Different coordination behavior of a catechol phosphine and its sulfide: Formation of an unprecedented dinuclear rhodium complex with a non-coordinated PS unit

  摘要：

  Sulfurization of 3-[(diphenylphosphinyl)methyl]benzene-1,2-diol 1 produced phosphine sulfide 3. Both ligands reacted easily to form gold(I) and rhodium(I) complexes which were characterized by analytical and spectroscopic data, and single-crystal X-ray diffraction studies. Whereas the phosphine prefers to form complexes with a metal-to-ligand ratio of 1:2 with both metals, the phosphine sulfide exhibits a reduced donor power and yields only a 1:1 complex with AuCl. With rhodium(I), formation of a homobimetallic complex with a metal-to-ligand ratio of 2:1 was found. This complex displays an unusual coordination of both metal atoms to the catechol moiety whereas the phosphine sulfide moiety remains inactive. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.076