[2,4-Bis(phenylmethoxy)pyrimidin-5-yl]-diphenylphosphane | 1355048-90-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2,4-Bis(phenylmethoxy)pyrimidin-5-yl]-diphenylphosphane
• 英文别名: [2,4-bis(phenylmethoxy)pyrimidin-5-yl]-diphenylphosphane
• CAS: 1355048-90-6
• 化学式: C₃₀H₂₅N₂O₂P
• 分子量: 476.514
• InChiKey: VCJBGNWNJQYJAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 、 乙醚 、 氯仿 、 [2,4-Bis(phenylmethoxy)pyrimidin-5-yl]-diphenylphosphane 以 乙醚 、 氯仿 为溶剂， 生成 [(,eta.5-C5H5)Ru(NCMe)(PPh2Ur(P))2][PF6]*0.75CHCl3*0.25Et2O
  参考文献：
  名称：

  Synthesis and coordination chemistry of pyrimidine-substituted phosphine ligands

  摘要：

  Reaction of PPh2H with UrI (Ur = uracil) in the presence of Pd(OAc)(2) affords PPh(2)Ur. In the solid state, PPh(2)Ur crystallises as a methanol solvate in the monoclinic space group P2(1)/c. Reaction of PPh(2)Ur with CuI in dry and deoxygenated THF solution results in the formation of [Cu-4(mu(3)-I)(4)(PPh(2)Ur)(4)]. A single crystal X-ray diffraction study demonstrated that this species contains a distorted tetrahedral core of copper atoms, with facially-capping iodides. The uracil groups in the clusters are engaged in hydrogen bonding to groups on neighbouring molecules to form an extended array. A similar reaction between PPh(2)Ur and CuI in unpurified THF allows for the isolation of the phosphine oxide P(O)PPh(2)Ur. The synthesis of the benzyl-protected phosphine PPh(2)Ur(P) is also described [Ur(P) = 2,4-bis(benzyloxy)pyrimidine]. Reaction of PPh(2)Ur(P) with [Ru(eta(5)-C5H5)(NCMe)(3)]PF6 allows for isolation of [Ru(eta(5)-C5H5)(NCMe)(PPh(2)Ur(P))(2)]PF6. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.058
• 作为产物：
  描述：

  二苯基氯化膦 、 5-溴-2,4-二(苯基甲氧基)-嘧啶 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.41h， 以40%的产率得到[2,4-Bis(phenylmethoxy)pyrimidin-5-yl]-diphenylphosphane
  参考文献：
  名称：

  Synthesis and coordination chemistry of pyrimidine-substituted phosphine ligands

  摘要：

  Reaction of PPh2H with UrI (Ur = uracil) in the presence of Pd(OAc)(2) affords PPh(2)Ur. In the solid state, PPh(2)Ur crystallises as a methanol solvate in the monoclinic space group P2(1)/c. Reaction of PPh(2)Ur with CuI in dry and deoxygenated THF solution results in the formation of [Cu-4(mu(3)-I)(4)(PPh(2)Ur)(4)]. A single crystal X-ray diffraction study demonstrated that this species contains a distorted tetrahedral core of copper atoms, with facially-capping iodides. The uracil groups in the clusters are engaged in hydrogen bonding to groups on neighbouring molecules to form an extended array. A similar reaction between PPh(2)Ur and CuI in unpurified THF allows for the isolation of the phosphine oxide P(O)PPh(2)Ur. The synthesis of the benzyl-protected phosphine PPh(2)Ur(P) is also described [Ur(P) = 2,4-bis(benzyloxy)pyrimidine]. Reaction of PPh(2)Ur(P) with [Ru(eta(5)-C5H5)(NCMe)(3)]PF6 allows for isolation of [Ru(eta(5)-C5H5)(NCMe)(PPh(2)Ur(P))(2)]PF6. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.058

文献信息

• Synthesis and coordination chemistry of pyrimidine-substituted phosphine ligands
  作者：Tracy D. Nixon、Aimee J. Gamble、Robert J. Thatcher、Adrian C. Whitwood、Jason M. Lynam

  DOI：10.1016/j.ica.2011.10.058

  日期：2012.1

  Reaction of PPh2H with UrI (Ur = uracil) in the presence of Pd(OAc)(2) affords PPh(2)Ur. In the solid state, PPh(2)Ur crystallises as a methanol solvate in the monoclinic space group P2(1)/c. Reaction of PPh(2)Ur with CuI in dry and deoxygenated THF solution results in the formation of [Cu-4(mu(3)-I)(4)(PPh(2)Ur)(4)]. A single crystal X-ray diffraction study demonstrated that this species contains a distorted tetrahedral core of copper atoms, with facially-capping iodides. The uracil groups in the clusters are engaged in hydrogen bonding to groups on neighbouring molecules to form an extended array. A similar reaction between PPh(2)Ur and CuI in unpurified THF allows for the isolation of the phosphine oxide P(O)PPh(2)Ur. The synthesis of the benzyl-protected phosphine PPh(2)Ur(P) is also described [Ur(P) = 2,4-bis(benzyloxy)pyrimidine]. Reaction of PPh(2)Ur(P) with [Ru(eta(5)-C5H5)(NCMe)(3)]PF6 allows for isolation of [Ru(eta(5)-C5H5)(NCMe)(PPh(2)Ur(P))(2)]PF6. (C) 2011 Elsevier B.V. All rights reserved.