| 1429328-84-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1429328-84-6
• 化学式: C₂₄H₃₈N₄
• 分子量: 382.593
• InChiKey: MJTIGRAUXRVCSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.31
• 重原子数：
  28.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  49.84
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3,3-二甲基丁胺 在 4-叔-丁基苯基乙炔 、 iron(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以125 mg的产率得到
  参考文献：
  名称：

  Syntheses and characterizations of α-iminopyridine compounds (alkylNCHpy)2Fe(L/Xn), and an assessment of redox non-innocence

  摘要：

  Treatment of cis-(Me3P)(4)FeMe2 with two equiv (neo)PeN=CH(2-py) afforded {kappa-N,N'-(neo)PeN=CH(2-pyridy1))(2)FeMe2 (2-P). Reductions of FeCl2 with Na/Hg in the presence of (neo)PeN=CH(2-pyridyl) or (neo)HexN=CH(2-pyridyl) and L (H2C=CHCO2Me, PhCCPh, PMe3) gave tentative evidence of [kappa-N,N'-(neo)PeN=CH(2-pyridy1)}(2)Fe(H2C=CHCO2Me) (2-P), but (x-N,N'-(neo)PeN=CH(2-pyridyI)}(2)Fe(PhCCPh) (5-P), (kappa-N,N'-neoHexN=CH(2-pyridy1)}(2)Fe(PhCCPh) (5-H), and {kappa-N,N'-(neo)HexN=CH(2-pyridy1))(2-)Fe(PMe)}(2-) (6-H) were all isolated in good yield. Phosphine complex 6-H could be alkylated with CH3I or CH3OTf to afford {kappa-N,N'-(neo)HexN=CH(2-pyridyl)}(2-)Fe(PMe3)Me]I-+(-) (7-H-I) or {kappa-N,N'-(neo)HexN=CH(2-pyridyl)}(2-)Fe(PMe3)Me]I-+(-) OTf- (7-H-OTf) center dot [{kappa-N,N'-RN=CH(2-pyridyl)}(3-)Fe][OTf](2) (R = (neo)Pe, 8-P-OTf; (neo-)Hex, 8-H-OTf) omplexes were also prepared from Fe(OTO)(2) in order to identify potential byproducts in certain reactions. Compounds 2-P and 7-H-0Tf were tested for ethylene oligomerization activity, to no avail. Complexes 2-P, 5-H, 6-H, and 7-H-OTf were structurally characterized and evaluated by Mossbauer spectroscopy, and 5-H was shown to possess a redox non-innocent alkyne ligand, while the alpha-alkyliminopyridine ligands of 6-H were classified as radical anions, rendering all compounds describable as Fe(ll). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.08.060