d₁₀-diphenylphosphite | 1404466-80-3

• 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: d₁₀-diphenylphosphite
• CAS: 1404466-80-3
• 化学式: C₁₂H₁₁O₃P
• 分子量: 244.112
• InChiKey: OGBPILLJZSJJRC-LHNTUAQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  d₁₀-diphenylphosphite 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Lanthanide Complexes of the Kläui Metalloligand, CpCo(P═O(OR)₂)₃: An Examination of Ligand Exchange Kinetics between Isotopomers by Electrospray Mass Spectrometry

  摘要：

  A series of lanthanide complexes, {[CpCo(P=O(OR)(2))(3)](2)Ln(H2O)(x)}Cl-+(-) (Ln = Nd, 3; Eu, 4; Tb, 5; 'Yb, 6; R = Et, a; R = Ph, b) bearing two cobalt metalloligands were prepared. Electrospray mass spectrometry and thermogravimetric analysis suggest that the cations are either solvent free or contain very weakly bound water molecules. The related complex {[CpCo(P=O(OPh)(2))(3)](2)Yb)(+) [CoCl3(THF)](-), 7, was crystallographically characterized, and the cation in this case was confirmed to be 6-coordinate and solvent free Ligand exchange rates between the d(0)- and d(60)-isotopomers of 3a-6a and 5b were determined in acetonitrile by electrospray mass spectrometry. The ligand exchange rate was found to increase by almost 4 orders of magnitude from the smallest (Yb, 6a, k = 0.3 M-1 s(-1)) to largest ion (Nd, 3a, >2500 M-1 s(-1)) in acetonitrile. Additionally, the ligand exchange rate increased rapidly for 5a (Tb) with increasing water concentration from 30 M-1 s(-1) in pure acetonitrile to 268 M-1 s(-1) in 50:50 (v/v) acetonitrile/water. Changing the phosphite substituent had no significant impact on the rate of ligand exchange for 5b (R = Ph) relative to 5a (R = Et).

  DOI：

  10.1021/ic301830u
• 作为产物：
  描述：

  苯酚-D6 在 叔丁醇 、 三氯化磷 作用下， 以 二氯甲烷 为溶剂， 反应 21.0h， 以89%的产率得到d₁₀-diphenylphosphite
  参考文献：
  名称：

  Lanthanide Complexes of the Kläui Metalloligand, CpCo(P═O(OR)₂)₃: An Examination of Ligand Exchange Kinetics between Isotopomers by Electrospray Mass Spectrometry

  摘要：

  A series of lanthanide complexes, {[CpCo(P=O(OR)(2))(3)](2)Ln(H2O)(x)}Cl-+(-) (Ln = Nd, 3; Eu, 4; Tb, 5; 'Yb, 6; R = Et, a; R = Ph, b) bearing two cobalt metalloligands were prepared. Electrospray mass spectrometry and thermogravimetric analysis suggest that the cations are either solvent free or contain very weakly bound water molecules. The related complex {[CpCo(P=O(OPh)(2))(3)](2)Yb)(+) [CoCl3(THF)](-), 7, was crystallographically characterized, and the cation in this case was confirmed to be 6-coordinate and solvent free Ligand exchange rates between the d(0)- and d(60)-isotopomers of 3a-6a and 5b were determined in acetonitrile by electrospray mass spectrometry. The ligand exchange rate was found to increase by almost 4 orders of magnitude from the smallest (Yb, 6a, k = 0.3 M-1 s(-1)) to largest ion (Nd, 3a, >2500 M-1 s(-1)) in acetonitrile. Additionally, the ligand exchange rate increased rapidly for 5a (Tb) with increasing water concentration from 30 M-1 s(-1) in pure acetonitrile to 268 M-1 s(-1) in 50:50 (v/v) acetonitrile/water. Changing the phosphite substituent had no significant impact on the rate of ligand exchange for 5b (R = Ph) relative to 5a (R = Et).

  DOI：

  10.1021/ic301830u