palladium(II)Cl2 (4-tert-butyl-2-diphenylphosphino-cyclohexanone N,N-dimethylhydrazone) | 141538-98-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: palladium(II)Cl2 (4-tert-butyl-2-diphenylphosphino-cyclohexanone N,N-dimethylhydrazone)
• 英文别名: N-[(E)-(4-tert-butyl-2-diphenylphosphanylcyclohexylidene)amino]-N-methylmethanamine;dichloropalladium
• CAS: 141538-98-9
• 化学式: C₂₄H₃₃Cl₂N₂PPd
• 分子量: 557.839
• InChiKey: KJGOEUDYICDFAF-ICVVXADVSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.63
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-tert-butyl-2-diphenylphosphino-cyclohexanone N,N-dimethylhydrazone 以 乙醇 、 苯 为溶剂， 生成 palladium(II)Cl2 (4-tert-butyl-2-diphenylphosphino-cyclohexanone N,N-dimethylhydrazone)
  参考文献：
  名称：

  Syntheses and crystal structures of molybdenum(0) and palladium(II) complexes of 4-tert-butyl-2-diphenylphosphino-cyclohexanone N,N-dimethylhydrazone

  摘要：

  Deprotonation of 4-tert-butyl-cyclohexanone N,N-dimethylhydrazone (1) with LiBu(n) at - 15 degrees C, followed by addition of PPh(2)Cl gave the corresponding phosphino dimethylhydrazone Z-PPh(2)C(10)H(17)=NNMe(2) (2), in which the PPh(2) group is in the axial position. 2 reacts with [Mo(CO)(4)(nbd)] (nbd=norbomadiene) to give the tetracarbonyl complex [Mo(CO)(4)(Z-PPh(2)C(10)H(17)=NNMe(2))] (3), containing a six-membered chelate ring and an axial PPh(2) group. Treatment of 2 with Na2PdCl4 or [PdCl2(NCPh)(2)] gave the dichloropalladium(II) complex [PdCl2(E-PPh(2)C(10)H(17)=NNMe(2))] (4), containing a five-membered chelate ring and an equatorial PPh(2) group due to isomerisations at C-2 and around C=N. Crystals of 3 are monoclinic, space group P2(1)/n with a=2083.4(4), b=1089.0(2), c=2521.9(5) pm, beta=98.82(2)degrees and 2=8, R=0.0263 for 6109 observed reflections with 1>2.0 sigma(I). Crystals of 4 are monoclinic, space group P2(1)/n with a=11.271(2), b=13.205(3), c=17.849(3) Angstrom, beta=104.83(1)degrees and Z=4, R(1)=0.0304 for 3994 observed reflections.

  DOI：

  10.1016/0020-1693(95)04618-j