cis-2,5-((2,6-Me2C6H3)NHCH2)2(C4H6O) | 241128-32-5

• 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: cis-2,5-((2,6-Me2C6H3)NHCH2)2(C4H6O)
• 英文别名: N-[[(2S,5R)-5-[(2,6-dimethylanilino)methyl]oxolan-2-yl]methyl]-2,6-dimethylaniline
• CAS: 241128-32-5
• 化学式: C₂₂H₃₀N₂O
• 分子量: 338.493
• InChiKey: RWUKJNQZHAKCJR-BGYRXZFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  33.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  四(二甲氨基)锆 、 cis-2,5-((2,6-Me2C6H3)NHCH2)2(C4H6O) 以 正戊烷 为溶剂， 以93%的产率得到[cis-2,5-((2,6-Me2C6H3)NCH2)2(C4H6O)]Zr(NMe2)2
  参考文献：
  名称：

  Zirconium Complexes That Contain a Diamido O-Donor Ligand with a Restricted Geometry

  摘要：

  Addition of LiNH(2,6-Me2C6H3) (LiNHAr') to cis-2,5-bis((tosyloxy)methyl)tetrahydrofuran gave cis-2,5-(Ar'NHCH2)(2)(C4H6O) (H-2[1]). The reaction between Zr(NMe2)(4) and H-2[1] yielded [1]Zr(NMe2)(2), from which [1]ZrCl2 and [1]ZrMe2 were prepared readily. An unsymmetric relative of H-2[1], cis-2,5-(Ar'NHCH2)(ArNHCH2)(C4H6O) (H-2[2]; Ar = 2,6-i-Pr2C6H3), was also prepared via the imine of 5-(hydroxymethyl)furaldehyde. Cations of the type {[1]ZrMe-(PhNMe2)}[B(C6F5)(4)] and {[2]ZrMe(PhNMe2)}[B(C6F5)(4)], prepared in the reaction between the dimethyl species and [PhNHMe2][B(C6F5)(4)], could be observed and were stable toward exchange of free and coordinated dimethylaniline on the NMR time scale, while cations prepared in the reaction between the dimethyl species and [Ph3C][B(C6F5)(4)] did not have interpretable NMR spectra and appeared to be relatively unstable. Nevertheless, poly(1-hexene) that had a molecular weight approximately equal to the amount employed (up to 500 equiv) could be prepared by employing the latter at 0 degrees C in chlorobenzene.

  DOI：

  10.1021/om9902131

文献信息

• Zirconium Complexes That Contain a Diamido O-Donor Ligand with a Restricted Geometry
  作者：Miguel A. Flores、Maria R. Manzoni、Robert Baumann、William M. Davis、Richard R. Schrock

  DOI：10.1021/om9902131

  日期：1999.8.1

  Addition of LiNH(2,6-Me2C6H3) (LiNHAr') to cis-2,5-bis((tosyloxy)methyl)tetrahydrofuran gave cis-2,5-(Ar'NHCH2)(2)(C4H6O) (H-2[1]). The reaction between Zr(NMe2)(4) and H-2[1] yielded [1]Zr(NMe2)(2), from which [1]ZrCl2 and [1]ZrMe2 were prepared readily. An unsymmetric relative of H-2[1], cis-2,5-(Ar'NHCH2)(ArNHCH2)(C4H6O) (H-2[2]; Ar = 2,6-i-Pr2C6H3), was also prepared via the imine of 5-(hydroxymethyl)furaldehyde. Cations of the type [1]ZrMe-(PhNMe2)}[B(C6F5)(4)] and [2]ZrMe(PhNMe2)}[B(C6F5)(4)], prepared in the reaction between the dimethyl species and [PhNHMe2][B(C6F5)(4)], could be observed and were stable toward exchange of free and coordinated dimethylaniline on the NMR time scale, while cations prepared in the reaction between the dimethyl species and [Ph3C][B(C6F5)(4)] did not have interpretable NMR spectra and appeared to be relatively unstable. Nevertheless, poly(1-hexene) that had a molecular weight approximately equal to the amount employed (up to 500 equiv) could be prepared by employing the latter at 0 degrees C in chlorobenzene.