[((t-Bu)2P(H)N(Me)CHCH2N(Me)P(t-Bu)2)NiCl3] | 1313020-19-7

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: [((t-Bu)2P(H)N(Me)CHCH2N(Me)P(t-Bu)2)NiCl3]
• CAS: 1313020-19-7
• 化学式: C₂₀H₄₆Cl₃N₂NiP₂*H
• 分子量: 542.603
• InChiKey: WRUJZMHZNSROCO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.02
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [((t-Bu)2P(H)N(Me)CHCH2N(Me)P(t-Bu)2)NiCl3] 、 三(五氟苯基)硼烷 以 氘代苯 为溶剂， 以85%的产率得到[(κ(3)P,C,P-(t-Bu)2PN(Me)CHCH2N(Me)P(t-Bu)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
• 作为产物：
  描述：

  氯化镍二甲氧基乙烷 、 (CH2(Me)NPtBu2)2 以 四氢呋喃 为溶剂， 以95%的产率得到[((t-Bu)2P(H)N(Me)CHCH2N(Me)P(t-Bu)2)NiCl3]
  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