N-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphanyl-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]silyl]-2,6-di(propan-2-yl)-N-trimethylsilylaniline | 1402593-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphanyl-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]silyl]-2,6-di(propan-2-yl)-N-trimethylsilylaniline
• CAS: 1402593-13-8
• 化学式: C₅₀H₇₂N₃PSi₂
• 分子量: 802.287
• InChiKey: MJRNZCHHSZJFBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.97
• 重原子数：
  56
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphanyl-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]silyl]-2,6-di(propan-2-yl)-N-trimethylsilylaniline 以 正己烷 为溶剂， 反应 48.0h， 以0.36 g的产率得到
  参考文献：
  名称：

  2-Hydro-2-aminophosphasilene with N–Si–P π Conjugation

  摘要：

  The first 2-aminophosphasilene, [Ar(Me3Si)-N]HSi=PAr' (4, Ar = 2,6-iPr(2)C(6)H(3), Ar' = 2,6-Mes(2)C(6)H(3)), bearing a hydride ligand on the three-coordinate silicon atom has been synthesized and structurally characterized. Both X-ray data of 4 and DFT calculations on the model compound (H2N)HSi=PH (4') disclosed that the amino group on the silicon atom results in significant N-Si-P pi conjugation.

  DOI：

  10.1021/om3008184
• 作为产物：
  描述：

  LiPH[DMP] 、 (2,6-ⁱPr₂C₆H₃)N(SiMe₃)Si(1,3-diisopropyl-4,5-dimethyl-imidazol-2-ylidene)Cl 以 四氢呋喃 为溶剂， 以5.7%的产率得到
  参考文献：
  名称：

  2-Hydro-2-aminophosphasilene with N–Si–P π Conjugation

  摘要：

  The first 2-aminophosphasilene, [Ar(Me3Si)-N]HSi=PAr' (4, Ar = 2,6-iPr(2)C(6)H(3), Ar' = 2,6-Mes(2)C(6)H(3)), bearing a hydride ligand on the three-coordinate silicon atom has been synthesized and structurally characterized. Both X-ray data of 4 and DFT calculations on the model compound (H2N)HSi=PH (4') disclosed that the amino group on the silicon atom results in significant N-Si-P pi conjugation.

  DOI：

  10.1021/om3008184

文献信息

• 2-Hydro-2-aminophosphasilene with N–Si–P π Conjugation
  作者：Haiyan Cui、Jianying Zhang、Chunming Cui

  DOI：10.1021/om3008184

  日期：2013.1.14

  The first 2-aminophosphasilene, [Ar(Me3Si)-N]HSi=PAr' (4, Ar = 2,6-iPr(2)C(6)H(3), Ar' = 2,6-Mes(2)C(6)H(3)), bearing a hydride ligand on the three-coordinate silicon atom has been synthesized and structurally characterized. Both X-ray data of 4 and DFT calculations on the model compound (H2N)HSi=PH (4') disclosed that the amino group on the silicon atom results in significant N-Si-P pi conjugation.