[(κ(3)P,C,P-CH(CH2NHP(t-Bu)2)2)NiCl] | 1313020-13-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [(κ(3)P,C,P-CH(CH2NHP(t-Bu)2)2)NiCl]
• 英文别名: N,N'-bis(ditert-butylphosphanyl)propane-1,3-diamine;nickel(2+);chloride
• CAS: 1313020-13-1
• 化学式: C₁₉H₄₃ClN₂NiP₂
• 分子量: 455.654
• InChiKey: RRQQIRPWHJFLIQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [(κ(3)P,N,P-(t-Bu)2PNH(CH2)3NP(t-Bu)2)2)NiCl] 在 B(C₆F₅)3 作用下， 以 甲苯 为溶剂， 以48%的产率得到[(κ(3)P,C,P-CH(CH2NHP(t-Bu)2)2)NiCl]
  参考文献：
  名称：

  Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes

  摘要：

  The aminophosphine ligands CH2(CH2NHPtBu2)(2) (1), (CH2NHPtBu2)(2) (2), and (CH2NMePtBu2)(2) (3) were prepared from the corresponding amines and ClPtBu2. The ligand 1 reacts with PdI2 to give the pincer complex (kappa P-3,C,P-CH(CH2NHPtBu2)(2))PdI (4). The analogous reaction of 1 with NiCl2(dme) gave a the purple product (kappa P-3,N,P-tBu(2)PNH(CH2)(3)NPtBu2)NiCl (5), which contains a strained three-membered P-N-Ni ring. Subsequent reaction of 5 with B(C6F5)(3) resulted in conversion to (kappa P-3,C,P-CH(CH2NHPtBu2)(2))NiCl (6). The related reaction of the aminophosphine ligand 2 with PdI2 and with NiCl2(dme) led, in both cases, to the complexes (kappa P-3,N, P-tBu(2)PNH(CH2)(2)NPtBu2)MX (MX = PdI (7), NiCl (8)), respectively, whereas the reaction of 3 with PdX2 gave (kappa P-3,C, P-tBu(2)PN(Me)CHCH2N(Me)PtBu2)PdX (X = I(9), Br (10), Cl (11)). The analogous reaction of 3 with NiCl2(dme) afforded [(tBu(2)PH)(NMe)(CH2)(2)(NMe)(tBu(2)P)NiCl3], (12), which upon treatment with B(C6F5)(3) afforded the species (kappa P-3,C, P-tBu(2)PN(Me)CHCH2N(Me)PtBu2)NiCl (13). Crystallographic studies of 4-6, 8, 9, 11, and 12 are reported. The implications of these results are considered.

  DOI：

  10.1021/om200439q