1,3-bis[(1R)-1-phenylethyl]-2-(2-thienyl)-1,3,2-diazaphospholane | 945215-10-1

• 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: 1,3-bis[(1R)-1-phenylethyl]-2-(2-thienyl)-1,3,2-diazaphospholane
• 英文别名: 1,3-Bis[(1r)-1-phenylethyl]-2-(2-thienyl)-1,3,2-diazaphospholane；1,3-bis[(1R)-1-phenylethyl]-2-thiophen-2-yl-1,3,2-diazaphospholidine
• CAS: 945215-10-1
• 化学式: C₂₂H₂₅N₂PS
• 分子量: 380.494
• InChiKey: HJLNHQRSTFYAEX-RTBURBONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  34.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-bis[(1R)-1-phenylethyl]-2-(2-thienyl)-1,3,2-diazaphospholane 、 {Os3Rh(μ-H)3(CO)12} 以 氯仿 为溶剂， 以72%的产率得到[H2RhOs3(CO)11(μ,κ1-1,3-bis-(1-phenylethyl)-[1,3,2]diazaphospholidine-2-yl)]
  参考文献：
  名称：

  A novel heterobidentate chiral phosphine and its coordination chemistry in transition metal clusters

  摘要：

  The optically active ligand R,R-PHAZAN (1,3-bis[(1R)-1-Phenylethyl]-2-(2-thienyl)-1,3,2-diazaphospholane) has been prepared and the products resulting from the reactions with Rh-6(CO)(15)NCMe, H3RhOs3(CO)(12), and H4Ru4(CO)(12) have been investigated by X-ray crystallography and a variety of multinuclear NMR methods. X-ray studies show that PHAZAN can behave as a bidentate ligand in Rh-6(CO)(14)(mu(2),kappa(2)-R,R-PHAZAN) (with coordination through P and S) or a monodentate ligand (through P coordination) in H4Ru4(CO)(11)(kappa(1)-R,R-PHAZAN) and NMR studies show that these structures are retained in solution. In Rh-6(CO)(14)(mu(2),kappa(2)-R,R-PHAZAN), edge-bridging coordination of PHAZAN results in the formation of an additional two novel chiral centres and these are observed in solution. Reaction of PHAZAN with H3RhOs3(CO)(12) results in cleavage of the thienyl group and formation of the phosphido cluster, H2RhOs3(CO)(11)(mu(2)-PNN), (PNN = 1,3-bis-(1-phenylethyl)-[1,3,2]diazaphospholidine-2-yl). A variety of NMR measurements show that the hydride site-occupancies in the solid state are retained in solution and there is evidence for interaction of an ortho-phenyl hydrogen and a hydride through "dihydrogen" bonding. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.03.008
• 作为产物：
  描述：

  R(+)-alpha-甲基苄胺 在 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 15.5h， 生成 1,3-bis[(1R)-1-phenylethyl]-2-(2-thienyl)-1,3,2-diazaphospholane
  参考文献：
  名称：

  A novel heterobidentate chiral phosphine and its coordination chemistry in transition metal clusters

  摘要：

  The optically active ligand R,R-PHAZAN (1,3-bis[(1R)-1-Phenylethyl]-2-(2-thienyl)-1,3,2-diazaphospholane) has been prepared and the products resulting from the reactions with Rh-6(CO)(15)NCMe, H3RhOs3(CO)(12), and H4Ru4(CO)(12) have been investigated by X-ray crystallography and a variety of multinuclear NMR methods. X-ray studies show that PHAZAN can behave as a bidentate ligand in Rh-6(CO)(14)(mu(2),kappa(2)-R,R-PHAZAN) (with coordination through P and S) or a monodentate ligand (through P coordination) in H4Ru4(CO)(11)(kappa(1)-R,R-PHAZAN) and NMR studies show that these structures are retained in solution. In Rh-6(CO)(14)(mu(2),kappa(2)-R,R-PHAZAN), edge-bridging coordination of PHAZAN results in the formation of an additional two novel chiral centres and these are observed in solution. Reaction of PHAZAN with H3RhOs3(CO)(12) results in cleavage of the thienyl group and formation of the phosphido cluster, H2RhOs3(CO)(11)(mu(2)-PNN), (PNN = 1,3-bis-(1-phenylethyl)-[1,3,2]diazaphospholidine-2-yl). A variety of NMR measurements show that the hydride site-occupancies in the solid state are retained in solution and there is evidence for interaction of an ortho-phenyl hydrogen and a hydride through "dihydrogen" bonding. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.03.008