[(2,4,6-Me3C6H2)NH-2-(5-MeC6H3)]2PPh | 849416-87-1

• 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: [(2,4,6-Me3C6H2)NH-2-(5-MeC6H3)]2PPh
• 英文别名: 2,4,6-trimethyl-N-[4-methyl-2-[[5-methyl-2-(2,4,6-trimethylanilino)phenyl]-phenylphosphanyl]phenyl]aniline
• CAS: 849416-87-1
• 化学式: C₃₈H₄₁N₂P
• 分子量: 556.731
• InChiKey: AWQYIYWHGZVOTL-UHFFFAOYSA-N

物化性质

• 沸点：
  659.8±55.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四(二甲氨基)锆 、 [(2,4,6-Me3C6H2)NH-2-(5-MeC6H3)]2PPh 以 甲苯 为溶剂， 以90%的产率得到[(((2,4,6-Me3C6H2)N-2-(5-MeC6H3))2PPh)Zr(NMe2)2]
  参考文献：
  名称：

  一种新型的芳烃桥二叠氮膦配体及其与锆（IV）的配位化学

  摘要：

  芳烃桥联的二锂二酰胺基膦配体[[（2,4,6-Me 3 C 6 H 2）NLi-2-（5-MeC 6 H 3）] 2 PPh [NPN] * Li 2由（在Et 2 O中的2,4,6-Me 3 C 6 H 2）（2-Br-4-MeC 6 H 3）NH，n BuLi和PhPCl 2分离为二恶烷加合物，收率为〜85％。[NPN] * Li 2（THF）2的固态结构通过X射线衍射测定的结果表明，两个由酰胺氮桥接的锂和一个与磷供体配位的锂离子。[NPN] * H 2和Zr（NMe 2）4在甲苯中的反应产生了[NPN] * Zr（NMe 2）2，分离产率为90％。向[NPN] * Zr（NMe 2）2中添加过量的Me 3 SiCl可以高产率地将其转化为[NPN] * ZrCl 2。通过X射线衍射测定的[NPN] * ZrCl 2的固态结构显示Zr中心是具有膦和氯化物顶端的扭曲的三角双锥体。在邻通过NMR光谱法，在[NPN]

  DOI：

  10.1021/om049165x

文献信息

• Carbon–Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands
  作者：Kyle D. J. Parker、Michael D. Fryzuk

  DOI：10.1021/om500775c

  日期：2014.11.10

  The incorporation of o-phenylene-linked diamidophosphine ligands onto the readily available alkyne complexes Ta(alkyne)Cl-3(DME) (where alkyne = hex-3-yne or 1,2-bis(trimethylsilylacetylene); DME = 1,2-dimethoxyethane) results in the formation of a versatile set of starting materials of the general formula [(NPN)-N-Ph*]Ta(alkyne)Cl (where [(NPN)-N-Ph*] = PhP(2-(N-mesityl)-5-Me-C6H3)(2)). Upon reaction with KBEt3H, the synthesis of the corresponding hydride complexes [(NPN)-N-Ph*]Ta(alkyne)H can be achieved; these complexes feature extremely downfield (d similar to 21 ppm) doublet resonances ((2)J(HP) = similar to 35 Hz) in the respective H-1 NMR spectra that are assigned to the newly formed TaH moieties. Subsequent reaction of these Ta hydrides with 2,6-dimethylphenylisocyanide and phenylacetylene results in the insertion of these species into the TaH bond and the formation of the corresponding iminoformyl and phenylvinyl complexes, respectively. While the former intermediate cannot be detected, the latter was characterized by NMR spectroscopy. Both of these processes result in the further transformation to generate CC coupled products by a reductive elimination sequence with the coordinated alkyne; in the case of the iminoformyl, an azadiene results, whereas with the phenylvinyl derivative a butadienyl fragment is generated. Single-crystal X-ray diffraction and a suite of NMR spectroscopic techniques were used to characterize these species. A discussion of the bonding of the products in the context of the process by which they form is presented. The rate of formation of the butadienyl moiety from the phenylvinyl intermediate results in the activation parameters of Delta H double dagger = 22.2 +/- 0.3 kcal/mol and Delta S double dagger = -8.7 +/- 0.2 cal/(mol)(K).
• A New Arene-Bridged Diamidophosphine Ligand and Its Coordination Chemistry with Zirconium(IV)
  作者：Erin A. MacLachlan、Michael D. Fryzuk

  DOI：10.1021/om049165x

  日期：2005.3.1

  6-Me3C6H2)NLi-2-(5-MeC6H3)]2PPh, [NPN]*Li2, was prepared from (2,4,6-Me3C6H2)(2-Br-4-MeC6H3)NH, nBuLi, and PhPCl2 in Et2O and isolated as a dioxane adduct in ∼85% yield. The solid-state structure of [NPN]*Li2(THF)2 as determined by X-ray diffraction shows both lithiums bridged by the amido nitrogens with one Li ion coordinated to the phosphine donor. The reaction of [NPN]*H2 and Zr(NMe2)4 in toluene produced [NPN]*Zr(NMe2)2

  芳烃桥联的二锂二酰胺基膦配体[[（2,4,6-Me 3 C 6 H 2）NLi-2-（5-MeC 6 H 3）] 2 PPh [NPN] * Li 2由（在Et 2 O中的2,4,6-Me 3 C 6 H 2）（2-Br-4-MeC 6 H 3）NH，n BuLi和PhPCl 2分离为二恶烷加合物，收率为〜85％。[NPN] * Li 2（THF）2的固态结构通过X射线衍射测定的结果表明，两个由酰胺氮桥接的锂和一个与磷供体配位的锂离子。[NPN] * H 2和Zr（NMe 2）4在甲苯中的反应产生了[NPN] * Zr（NMe 2）2，分离产率为90％。向[NPN] * Zr（NMe 2）2中添加过量的Me 3 SiCl可以高产率地将其转化为[NPN] * ZrCl 2。通过X射线衍射测定的[NPN] * ZrCl 2的固态结构显示Zr中心是具有膦和氯化物顶端的扭曲的三角双锥体。在邻通过NMR光谱法，在[NPN]