(4-{[1-[(Diphenylphosphanyl)-methyl]-2,2-dimethyl-prop-(Z)-ylidene]-hydrazonomethyl}-phenyl)-dimethyl-amine | 156783-26-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (4-{[1-[(Diphenylphosphanyl)-methyl]-2,2-dimethyl-prop-(Z)-ylidene]-hydrazonomethyl}-phenyl)-dimethyl-amine
• CAS: 156783-26-5
• 化学式: C₂₇H₃₂N₃P
• 分子量: 429.545
• InChiKey: DNFNWGCRUSJOPZ-BANSMWNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.71
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  27.96
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 (4-{[1-[(Diphenylphosphanyl)-methyl]-2,2-dimethyl-prop-(Z)-ylidene]-hydrazonomethyl}-phenyl)-dimethyl-amine 以 not given 为溶剂， 生成
  参考文献：
  名称：

  A general method of promoting agostic interactions (Ruâ†�–H_a–C) using azine phosphines

  摘要：

  用氮丙啶膦处理[RuCl2(PPh3)3]，得到在动态体系中钌与叔丁基、甲基、芳基或烯基的C-H键之间存在强非共价相互作用的复合物；例如，在20°C时，在核磁共振时间尺度上，叔丁基的所有九个氢原子都与钌存在非共价相互作用。

  DOI：

  10.1039/c39940001201
• 作为产物：
  描述：

  2-Butanone, 1-(diphenylphosphino)-3,3-dimethyl-, hydrazone, (2Z)- 、 对二甲氨基苯甲醛 以78%的产率得到(4-{[1-[(Diphenylphosphanyl)-methyl]-2,2-dimethyl-prop-(Z)-ylidene]-hydrazonomethyl}-phenyl)-dimethyl-amine
  参考文献：
  名称：

  A general method of generating agostic interaction between Ru^IIand C–H bonds of tert-butyl, methyl, aryl, heterocyclic or alkenyl groups using azine phosphines

  摘要：

  Treatment of [RuCl2(PPh(3))(3)] 2 with the azine phosphine Z,E-PPh(2)CH(2)C(Bu(t))=N-N=C(Me) Bu(t) 3a, derived from MeC(=O)Bu(t), gave the delta-agostic tert-butyl complex mer,trans-[RuCl2(PPh(3)){PPh(2)CH(2)-C(Bu(t))=N-N=C(Me)Bu(t)}] 4a, in which all nine hydrogens of the tert-butyl group are agostically interacting with ruthenium on the NMR time-scale at 20 degrees C. The analogous delta-agostic tert-butyl complex mer,trans-[RuCl2(PPh(3)){PPh(2)CH(2)C(Bu(t))=N-N=C(H)Bu(t)}] 4b was also prepared. Treatment of 2 with the symmetrical azine diphosphine Z,Z-PPh(2)CH(2)C(Bu(t))=N-N=C(Bu(t))CH(2)PPh(2) 5 gave the delta-agostic tert-butyl complex mer,trans-[RuCl2(PPh(3)){PPh(2)CH(2)C(Bu(t))=N-N=C(Bu(t))CH(2)PPh(2)}] 6, in which one of the PPh, groups is unco-ordinated. Treatment of 2 with the azine phosphine Z,E-PPh(2)CH(2)C(Bu(t))=N-N=C10H16 7, derived from pinacolone-fenchone mixed azine, gave the F-agostic methyl complex mer,trans-[RuCl2(PPh(3)){PPh(2)CH(2)C(Bu(t))=N-N=C10H16}] 8, in which the methyl group ((CH3)-H-10) in the 1-position of the fenchone residue interacts with ruthenium (fenchone = 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one). The unsymmetrical camphor azine monophosphine Z,Z-PPh(2)-C10H15N-N=C10H16 9 also gave a similar delta-agostic methyl complex mer,trans-[RuCl2(PPh(3)){PPh(2)C(10)H(15)N-N=C10H16}] 10 (camphor = 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one). Treatment of 2 with the azine Z,E-PPh(2)CH(2)C(Bu(t))=N-N=CH(C(6)H(4)NMe(2)-4) 11a, derived from 4-dimethylaminobenzaldehyde, gave the delta-agostic complex mer,trans-[RuCl2(PPh(3)){PPh(2)CH(2)C(Bu(t))=N-N=CH(C(6)H(4)NMe(2)- 4)}] 12a, in which the hydrogens in the 2 and 6 positions of the aryl group are agostically interacting with ruthenium. Similarly, the azines 11b and 11c, derived from 4-methoxybenzaldehyde or 4-nitrobenzaldehyde, gave the delta-agostic complexes 12b and 12c, respectively. Treatment of 2 with the azine 13, derived from 1-methylpyrrole-2-carbaldehyde. gave the delta-agostic complex 14, in which the hydrogen in the 3-position of the heterocyclic group is agostically interacting with ruthenium. Treatment of 2 with the azine 15, derived from benzylideneacetone, gave the delta-agostic alkenyl complex 16. Proton, P-31-{H-1} and some C-13-{H-1} NMR data are given.

  DOI：

  10.1039/dt9950003861