[PdMe(Ph2PCH2C(O)Ph)2][BF4] | 637765-73-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [PdMe(Ph2PCH2C(O)Ph)2][BF4]
• 英文别名: carbanide;2-diphenylphosphanyl-1-phenylethanone;palladium(2+);tetrafluoroborate
• CAS: 637765-73-2
• 化学式: BF₄*C₄₁H₃₇O₂P₂Pd
• 分子量: 816.916
• InChiKey: PGAOGJCWFFTROZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  二氯甲烷 、 (Z)-Ph2PCH=C(Ph)OP(O)(OEt)2 、 [PdMe(Ph2PCH2C(O)Ph)(NCMe)][BF4] 以 二氯甲烷 为溶剂， 生成 [PdMe(Ph2PCH2C(O)Ph)2][BF4] 、 [PdMe(Ph2PCH=C(Ph)OP(O)(OEt)2)2][BF4] 、 [PdMe(Ph2PCH=C(Ph)OP(O)(OEt)2)(Ph2PCH2C(O)Ph)][BF4] * 0.5CH2Cl2
  参考文献：
  名称：

  Enolphosphato−Phosphines:  A New Class of P,O Ligands

  摘要：

  The new bifunctional ligands Ph2PCH=CPh[OP(O)(OR)(2)] (1) (1a, R = Et; 1b, R = Ph) represent the first examples of P,O derivatives resulting from the association of a phosphine moiety and an enolphosphate group. The Z stereochemistry about the double bond provides a favorable situation for these ligands to act as P,O-chelates. Neutral and cationic Pd(II) complexes have been synthesized and characterized, in which 1a or 1b acts either as a P-monodentate ligand or a P,O-chelate, via coordination of the oxygen atom of the P=O group. In the latter case, it has been observed that phosphines 1a and 1b can display a hemilabile behavior, owing to successive dissociation and recoordination of the O atom. Competition experiments revealed that phosphine la presents a higher chelating ability than 1b, a feature ascribed to the more electrodonating properties of the ethoxy groups in 1a compared to the phenoxy groups in 1b. P,O-Chelation affords seven-membered metallocycles, which is unusual for RO-chelates. Complexes trans-[PdCl2{Ph2PCH=C(Ph)OP(O)(OPh)(2)}(2)] (2b), [PdCl{Ph2PCH=C(Ph)OP(O)(OEt)(2)}(mu-Cl)](2) (3a), [Pd(dmba){Ph2PCH=C(Ph)OP(O)(OEt)(2)}][PF6] (8a'), and cis-[Pd{Ph2PCH=C(Ph)OP(O)(OEt)(2)}][BF4](2) (10a) have been structurally characterized. Interestingly, the seven-membered rings in 8a' and 10a adopt a sofa conformation with the double bond lying almost perpendicular to the plane containing the Pd, the two P, and the two O atoms.

  DOI：

  10.1021/ic030032y