(2,4,6-Me3C6H2NHCH2CH2)2NCH3 | 318472-50-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2,4,6-Me3C6H2NHCH2CH2)2NCH3
• 英文别名: (2,4,6-Me3C6H2NHCH2CH2)2NMe；(MesNHCH2CH2)2NMe；N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
• CAS: 318472-50-3
• 化学式: C₂₃H₃₅N₃
• 分子量: 353.551
• InChiKey: FBANZXHNMODGDA-UHFFFAOYSA-N

物化性质

• 沸点：
  517.2±50.0 °C(predicted)
• 密度：
  1.028±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  27.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2,4,6-Me3C6H2NHCH2CH2)2NCH3 以 正戊烷 为溶剂， 生成 [(2,4,6-Me3C6H2NCH2CH2)2NMe]ZrCl2
  参考文献：
  名称：

  [[（mesityl）NCH 2 CH 2）2 NX] ZrMe 2（X = H，Me）与[Ph 3 C] [B（C 6 F 5）4 ]或[PhNMe 2的配合物的制备和活化H] [B（C 6 F 5）4 ]

  摘要：

  二甲基锆配合物[N 2 NX] ZrMe 2（N 2 NX = [（MesNCH 2 CH 2）2 NX]; Mes =均三元醇; X = H（1a），Me（1b））在酰胺双氮占据三角双锥体中“轴向”位置的固态。的反应1B与1个当量的[PH 3 C] [B（C 6 ˚F 5）4 ]，接着加入乙醚，得到醚加合物{[N 2 NME] ZrMe（ET 2 O）} +（用[ B（C 6 F 5）4 ] -作为阴离子），对其X射线研究表明它是fac三角双锥体类化合物，其中二乙醚在顶端位置被配位。1b与1当量的[PhNMe 2 H] [B（C 6 F 5）4 ]反应生成溶液[ [N 2 NMe] ZrMe（NMe 2 Ph）} [B（C 6 F 5）4 ] NMR研究表明其结构类似于{[N 2 NMe] ZrMe（Et 2 O）} +。{[N 2 NMe] ZrMe（NMe 2Ph）} [B（C 6 F

  DOI：

  10.1021/om0004996

文献信息

• New Yttrium Complexes Bearing Diamidoamine Ligands as Efficient and Diastereoselective Catalysts for the Intramolecular Hydroamination of Alkenes and Alkynes
  作者：Kai C. Hultzsch、Frank Hampel、Thomas Wagner

  DOI：10.1021/om030679q

  日期：2004.5.1

  amine donor and coordinated THF molecule in [Y(Mes2N2NMe)N(SiHMe2)2}(THF)] and both amine donors in [Y(2,6-Et2C6H3)2N2NMe}(o-C6H4CH2NMe2)] occupy axial positions. All complexes catalyze intramolecular hydroamination of aminoalkynes and aminoalkenes. Those having bis(trimethylsilyl)amido or (o-C6H4CH2NMe2) ligands show significantly higher activity than the complex containing the bis(dimethylsilyl)amido

  新的二氨基胺钇配合物[Y（Mes 2 N 2 NMe）N（SiHMe 2）2 }（THF）]（Mes 2 N 2 NMe 2 - =（2,4,6-Me 3 C 6 H 2 NCH 2 CH 2）2 NMe 2 -），[Y（Ar 2 N 2 NMe）N（SiMe 3）2 }]和[Y（Ar 2 N 2 NMe）（o -C 6 H 4 CH 2 NMe 2）]（氩2 Ñ 2 NME 2 - =（ArNCH 2 CH 2）2 NME 2 -用Ar = 2,4,6-ME 3 c ^ 6 ħ 2，2,6-的Et 2 ç 6 ħ 3，2，从相应的三酰胺基或三芳基钇配合物开始，通过转氨或消除芳烃反应制备6-Cl 2 C 6 H 3）。[Y（Mes 2 N 2 NMe）N（SiHMe 2）2 }（THF）]和[Y （2,6-Et 2X射线晶体学显示C 6 H 3）2 N 2 NMe}（o -C 6 H
• Catalyst composition II
  申请人：——

  公开号：US20040266961A1

  公开（公告）日：2004-12-30

  This invention relates to a transition metal catalyst compound represented by the formula: LMX 2 or (LMX 2 ) 2 wherein each M is independently a Group 7 to 11 metal, preferably a Group 7, 8, 9, or 10 metal; each L is, independently, a tridentate or tetradentate neutrally charged ligand that is bonded to M by three or four nitrogen atoms, (where at least one of the nitrogen atoms is a central nitrogen atom and at least two of the nitrogen atoms are terminal nitrogen atoms), and at least two terminal nitrogen atoms are substituted with one C 3 -C 50 hydrocarbyl and one hydrogen atom or two hydrocarbyls wherein at least one hydrocarbyl is a C 3 -C 50 hydrocarbyl, and the central nitrogen atom is bonded to three different carbon atoms or two different carbon atoms and one hydrogen atom; X is independently a monoanionic ligand, or two X may join together to form a bidentate dianionic ligand.

  本发明涉及一种由式表示的过渡金属催化剂化合物：LMX 2 或（LMX 2 ) 2 其中每个 M 独立地是 7 至 11 族金属，最好是 7、8、9 或 10 族金属；每个 L 独立地是三叉或四叉带中性电荷的配体，该配体通过三个或四个氮原子与 M 结合（其中至少一个氮原子是中心氮原子，至少两个氮原子是末端氮原子），且至少两个末端氮原子被一个 C 3 -C 50 烃基和一个氢原子或两个烃基取代，其中至少一个烃基为 C 3 -C 50 烃基，且中心氮原子与三个不同的碳原子或两个不同的碳原子和一个氢原子键合；X 独立地为单阴离子配体，或两个 X 可连接在一起形成双齿二阴离子配体。
• Synthesis of Oxorhenium(V) Complexes with Diamido Amine Ancillary Ligands and Their Role in Oxygen Atom Transfer Catalysis
  作者：Yuee Feng、Joel Aponte、Paul J. Houseworth、Paul D. Boyle、Elon A. Ison

  DOI：10.1021/ic901434u

  日期：2009.12.7

  The detailed syntheses of complexes of the form [Re(O)(X)(RNCH2CH2)(2)N(Me)] (X=Me, Cl, l, R=mesityl, C6F5), 1-3, incorporating diamidoamine ancillary ligands are described. X-ray crystal structures for the complexes [Re(O)(Me)((C6F5)NCH2CH2)(2)N(Me)], 1a, [Re(O)(l)((C6F5)N CH2CH2)(2)N(Me)], 3a, and [Re(O)(l)((Mes)NCH2)(2)N(Me)], 3b, are reported. The geometry about the metal center in la is best described as a severely distorted square pyramid with the oxo ligand in the apical position. In contrast, the geometry about the metal center in 3a is best described as a severely distorted trigonal bipyramid, with the iodo ligand occupying the apical position and the diamido nitrogens and the oxo ligand occupying the equatorial plane. The catalytic activities of these complexes for oxygen atom transfer, OAT, from pyridine-N-oxides, PyO, to PPh3 were also examined. The reactions exhibited a clear dependence on the diamido ligand substituent and the X ligand (Me, l, Cl) attached to the metal, with the combined effect that electron-withdrawing substituents on the diamido ligand and poor or donors directly attached to the metal center increases the rate of catalytic activity. The kinetics of OAT from pyridine-N-oxides to Re were also investigated. The reactions displayed clean first order kinetics in Re and saturation kinetics for the dependence on PyO. Changing the PyO substrate had no effect on the saturation value, k(sat), suggesting that the OAT reaction in these five-coordinate complexes appears to be governed by isomerization of the starting complex. Attempts to isolate a postulated Re(VII) intermediate were not successful because of hydrolytic degradation. The product of hydrolytic degradation [((C6F5)N(H)CH2CH2))(2)NH(Me)][X], (X=ReO4-, or l(-)), 4 can be isolated, and its X-ray crystal structure is reported. Although the Re(VII) intermediate could not be isolated, its activity in OAT reactions was probed by competition experiments with PPh3 and four para-substituted triarylphosphines (p-X-Ph)(3)P (X = OMe, Me, Cl, CF3). These experiments led to a Hammett that yielded a reaction constant of p = -0.30 +/- 0.01. This data suggests a positive charge buildup on phosphorus for the OAT reaction and is consistent with the nucleophilic attack of phosphorus on an electrophillic metal oxo.
• Catalyst Composition II
  申请人：Solan Gregory Adam

  公开号：US20080319147A1

  公开（公告）日：2008-12-25

  This invention relates to a transition metal catalyst compound represented by the formula: LMX 2 or (LMX 2 ) 2 wherein each M is independently a Group 7 to 11 metal, preferably a Group 7, 8, 9, or 10 metal; each L is, independently, a tridentate or tetradentate neutrally charged ligand that is bonded to M by three or four nitrogen atoms, (where at least one of the nitrogen atoms is a central nitrogen atom and at least two of the nitrogen atoms are terminal nitrogen atoms), and at least two terminal nitrogen atoms are substituted with one C 3 -C 50 hydrocarbyl and one hydrogen atom or two hydrocarbyls wherein at least one hydrocarbyl is a C 3 -C 50 hydrocarbyl, and the central nitrogen atom is bonded to three different carbon atoms or two different carbon atoms and one hydrogen atom; X is independently a monoanionic ligand, or two X may join together to form a bidentate dianionic ligand.
• US7189791B2
  申请人：——

  公开号：US7189791B2

  公开（公告）日：2007-03-13