cis-2,5-((2,6-Me2C6H3)NHCH2)((2,6-i-Pr2C6H3NHCH2)(C4H6O)) | 241128-33-6

• 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)((2,6-i-Pr2C6H3NHCH2)(C4H6O))
• CAS: 241128-33-6
• 化学式: C₂₆H₃₈N₂O
• 分子量: 394.601
• InChiKey: KMEYLQNSMLNJKF-YADHBBJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  33.29
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  四(二甲氨基)锆 、 cis-2,5-((2,6-Me2C6H3)NHCH2)((2,6-i-Pr2C6H3NHCH2)(C4H6O)) 以 正戊烷 为溶剂， 生成 [cis-2,5-((2,6-Me2C6H3)NCH2)((2,6-i-Pr2C6H3NCH2)(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