[(bis(2-(i)Pr2P-4-Me-phenyl)amido-catecholborane-H)Pd(H)][B(3,5-(CF3)2C6H3)4] | 1326316-54-4

• 英文名称: [(bis(2-(i)Pr2P-4-Me-phenyl)amido-catecholborane-H)Pd(H)][B(3,5-(CF3)2C6H3)4]
• 英文别名: [(PN(BCat)P)PdH][BAr(F)4]
• CAS: 1326316-54-4
• 化学式: C₃₂H₁₂BF₂₄*C₃₂H₄₅BNO₂P₂Pd
• 分子量: 1518.11
• InChiKey: MCHICGARDRAXDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(bis(2-(i)Pr2P-4-Me-phenyl)amido-catecholborane-H)Pd(H)][B(3,5-(CF3)2C6H3)4] 以 neat (no solvent, solid phase) 为溶剂， 以0%的产率得到[(bis(2-(i)Pr2P-4-Me-phenyl)amidoH)Pd(catecholborane-H)][B(3,5-(CF3)2C6H3)4]
  参考文献：
  名称：

  Net Heterolytic Cleavage of B–H and B–B Bonds Across the N–Pd Bond in a Cationic (PNP)Pd Fragment

  摘要：

  The use of weakly coordinating anions BAr4F (where Ar-F = 3,5-(CF3)(2)C6H3) and CB11H12 allows one to access clean reactions of the [(PNP)Pd](+) fragment (PNP = bis(2-(Pr2P)-Pr-i (4) over bar -Me-phenyl)amido) with the B-H bond in cate-cholborane (CatBH) and catecholdiboron (CatBBCat). In both cases, a net heterolytic cleavage of B H or B B takes place, fragment. The resultant products [(PN(BCat)P)PdH](+) (2) with the nitrogen atom of PNP being a recipient of a boryl and [(PN(BCat)P)PdBCat](+) (3) were isolated as either BAr4F or CB,,H,2 salts and fully characterized. They are susceptible to hydrolysis, with the B-N bond hydrolyzing selectively and rapidly at RT to give [(PN(H)P)PdH](+) (1) and [(PN(H)P)- PdBCat](+) (4). Notably, 4 and 2 are isomers, but they do not interconvert even under thermolysis at 90 degrees C. The Pd-B bond in 4 can be further hydrolyzed more slowly, to give 1. On the other hand, a Pd-B bond was formed from the Pd-H bond in 2 by reaction with excess CatBH (and evolution of H-2), producing 3.

  DOI：

  10.1021/ic2001283
• 作为产物：
  描述：

  [(bis(2-(i)Pr2P-4-Me-phenyl)amidoH)Pd(catecholborane-H)][B(3,5-(CF3)2C6H3)4] 以 neat (no solvent, solid phase) 为溶剂， 以0%的产率得到[(bis(2-(i)Pr2P-4-Me-phenyl)amido-catecholborane-H)Pd(H)][B(3,5-(CF3)2C6H3)4]
  参考文献：
  名称：

  Net Heterolytic Cleavage of B–H and B–B Bonds Across the N–Pd Bond in a Cationic (PNP)Pd Fragment

  摘要：

  The use of weakly coordinating anions BAr4F (where Ar-F = 3,5-(CF3)(2)C6H3) and CB11H12 allows one to access clean reactions of the [(PNP)Pd](+) fragment (PNP = bis(2-(Pr2P)-Pr-i (4) over bar -Me-phenyl)amido) with the B-H bond in cate-cholborane (CatBH) and catecholdiboron (CatBBCat). In both cases, a net heterolytic cleavage of B H or B B takes place, fragment. The resultant products [(PN(BCat)P)PdH](+) (2) with the nitrogen atom of PNP being a recipient of a boryl and [(PN(BCat)P)PdBCat](+) (3) were isolated as either BAr4F or CB,,H,2 salts and fully characterized. They are susceptible to hydrolysis, with the B-N bond hydrolyzing selectively and rapidly at RT to give [(PN(H)P)PdH](+) (1) and [(PN(H)P)- PdBCat](+) (4). Notably, 4 and 2 are isomers, but they do not interconvert even under thermolysis at 90 degrees C. The Pd-B bond in 4 can be further hydrolyzed more slowly, to give 1. On the other hand, a Pd-B bond was formed from the Pd-H bond in 2 by reaction with excess CatBH (and evolution of H-2), producing 3.

  DOI：

  10.1021/ic2001283