(1,1,3,3-tetraphenyl-1λ5,3λ5-1-phosphonia-3-phosphorane-cyclohex-3-en-5-one)chloride | 54979-56-5

• 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: (1,1,3,3-tetraphenyl-1λ5,3λ5-1-phosphonia-3-phosphorane-cyclohex-3-en-5-one)chloride
• 英文别名: 5-oxo-1,1,3,3-tetraphenyl-1,2,5,6-tetrahydro-3λ⁵-[1,3]diphosphininium; chloride；5-oxo-1,1,3,3-tetraphenyl-[1,3]diphosphinanediium-4-ide; chloride
• CAS: 54979-56-5
• 化学式: C₂₈H₂₅OP₂*Cl
• 分子量: 474.906
• InChiKey: IDIORXDZVUZFJX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (1,1,3,3-tetraphenyl-1λ5,3λ5-1-phosphonia-3-phosphorane-cyclohex-3-en-5-one)chloride 在 NEt₃ 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and characterization of PdII complexes containing cyclic bis-ylides

  摘要：

  The reaction of Ph2PCH2PPh2 (dppm) with ClCH2C(O)CH2Cl (1:1 molar ratio) in refluxing CHCl3 gives the new ylide-phosphonium salt 1, through quaternization of the two P atoms of the dppm and spontaneous loss of HCl. Compound 1 reacts with NEt3 in CHCl3 or CH2Cl2 solution (1:1 molar ratio) giving a mixture of the bis-ylide compound 2a and the ylide-methanide 2b (molar ratio 2a:2b = 1:2). This mixture (prepared in situ) reacts with PdCl2(NCMe)(2) to give the corresponding dichloride(bis-ylide) complex 3a (coordination through the two ylidic carbons) and the dichloride(ylide-methanide) complex 3b (coordination through the ylide carbon and the methanide carbon). in a molar ratio 3a:3b = 1:2. The reaction of the mixture 3a:3b with AgClO4 (1:2 molar ratio, NCMe or Me,CO) in the presence of neutral ligands L gives the corresponding mixtures of the dicationic complexes [Pd(L)(2)(C,C-bis-ylide)](ClO4)(2) (4a. L = NCMe: 5a. L = pyridine) and [Pd(L)(2)(C,C-ylide-methanide)](ClO4)(2) (4b, L = NCMe; 5b, L = pyridine) (molar ratio 4a:4b = 1:2; molar ratio 5a:5b = 3:1). On the other hand the reaction of Ph2PCH2PPh2 (dppm) with ClCH2C(=CH2)CH(2)Ct (1:1 molar ratio) in refluxing ClCH2CH2Cl gives the bis-phosphonium salt 6. This salt reacts with (LiBu)-Bu-t and PdCl2(NCMe)(2) (1:2.2:1 molar ratio) in THF affording the ylide-methanide complex 7. The crystal structures of complexes 3b(.)3dmso and 7(.)CHCl(3) have been determined by X-ray diffraction. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01448-2
• 作为产物：
  描述：

  3,3,5,5-Tetraphenyl-3,5-diphosphoniacyclohexanon 在 三乙胺 作用下， 以 乙醇 、 苯 为溶剂， 生成 (1,1,3,3-tetraphenyl-1λ5,3λ5-1-phosphonia-3-phosphorane-cyclohex-3-en-5-one)chloride
  参考文献：
  名称：

  Mastryukova,T.A. et al., Journal of general chemistry of the USSR, 1973, vol. 43, p. 2593 - 2598

  摘要：

  DOI：

文献信息

• Mastryukova,T.A. et al., Journal of general chemistry of the USSR, 1974, vol. 44, p. 2359 - 2363
  作者：Mastryukova,T.A. et al.

  DOI：——

  日期：——