trans-PhPdI(1-phenyldibenzophosphole)2 | 443765-13-7

• 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: trans-PhPdI(1-phenyldibenzophosphole)2
• CAS: 443765-13-7
• 化学式: C₄₂H₃₁IP₂Pd
• 分子量: 830.98
• InChiKey: SZTHXRBKYZBXGF-UHFFFAOYSA-M

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：

  碘苯 、 tetrakis(9-phenyl-9-phosphafluorene)palladium(0) 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-苯基-5H-苯并[B]膦吲哚 、 trans-PhPdI(1-phenyldibenzophosphole)2
  参考文献：
  名称：

  Mechanism of the oxidative addition of Pd0 complexes generated from Pd0(dba)2 and a phosphole ligand DBP: a special case where dba does not play any inhibiting role

  摘要：

  The reactivity of the palladium(0) complexes generated from Pd-0(dba)(2) (dba. trans. trans-dibenzylideneacetone) and n equivalents 1-phenyl-dibenzophosphole (DBP) has been investigated in the oxidative addition with PhI. Pd-0(dba)(DBP)(2) is generated as the major complex when n = 2. When n greater than or equal to 4. the dba of Pd-0(dba)(DBP)(2) is substituted by the ligand to generate Pd-0(DBP)(4). which is the major complex in solution. Such a situation considerably differs from PPh3, since at least 100 equivalents PPh3 are required to completely displace dba from Pd-0(dba)(PPh3)(2) to form Pd-0(PPh3)(3). Consequently. dba has no decelerating effect on the kinetics of the oxidative addition of PhI to the Pd-0 complex formed from Pd-0(dba)(2) and n equivalents DBP (n greater than or equal to 4). Pd-0(DBP)(4) is considerably less reactive than Pd-0(PPh3)(4) despite the fact that DBP is considered to be less hindered and more basic than PPh3. Pd-0(DBP)(2) is the reactive species. The reaction order in the ligand DBP is -2 compared with -1 for PPh3. The dissociation of one DBP from Pd-0(DBP)(4) is considerably more endergonic than that of one PPh3 from PdI(PPh3)(4) and is at the origin of the lower reactivity of Pd-0(DBP)(4). The oxidative addition of PhI generates the trans-PhPdI(DBP)(2) complex via the reversible formation of an intermediate complex assigned to cis-PhPdI(DBP)(2). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01252-9