tert-butyl 2-(6-(((2,4-dimethyl-6-(1-phenylethyl)phenyl)imino)methyl)pyridin-2-yl)-1H-indole-1-carboxylate | 1440971-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: tert-butyl 2-(6-(((2,4-dimethyl-6-(1-phenylethyl)phenyl)imino)methyl)pyridin-2-yl)-1H-indole-1-carboxylate
• CAS: 1440971-58-3
• 化学式: C₃₅H₃₅N₃O₂
• 分子量: 529.682
• InChiKey: VHFNAEFUXSLZLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.01
• 重原子数：
  40.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  56.48
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(6-(((2,4-dimethyl-6-(1-phenylethyl)phenyl)imino)methyl)pyridin-2-yl)-1H-indole-1-carboxylate 在 甲酸 、 sodium cyanoborohydride 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以40%的产率得到N-[[6-(1H-indol-2-yl)pyridin-2-yl]methyl]-2,4-dimethyl-6-(1-phenylethyl)aniline
  参考文献：
  名称：

  Isospecific polymerization of propene by new indolyl-pyridylamido Zr(IV) catalysts

  摘要：

  New zirconium complexes bearing indolyl-pyridylamido ligands [-NNN-] have been synthesized and used as catalysts in ethylene and propene polymerization in the presence of (AlBu2H)-Bu-1/MAO as cocatalytic system. Complexes 1 and 2, bearing ligands with a different steric hindrance on the carbon bridging the pyridine and the aniline moieties, exhibited remarkable catalytic activity for ethylene and propene polymerization, affording ultrahigh molecular weight polymers with monomodal molecular weight distributions. Moreover, the presence of the 2-isopropyl phenyl substituent on the bridging carbon (complex 2) resulted in higher stereoselectivity and regioselectivity providing a polypropylene sample with an [mmmm] content up to 96% and 1.3% of regioinversion. On the other hand, the change of the substituents of the aniline moiety (complex 3) gave a zirconium complex which resulted completely inactive both in the ethylene and propene polymerization. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.12.008
• 作为产物：
  描述：

  6-溴吡啶-2-甲醛 在 2-双环己基膦-2',6'-二甲氧基联苯 、 potassium phosphate 、 palladium diacetate 、 对甲苯磺酸 作用下， 以 正丁醇 为溶剂， 反应 5.0h， 生成 tert-butyl 2-(6-(((2,4-dimethyl-6-(1-phenylethyl)phenyl)imino)methyl)pyridin-2-yl)-1H-indole-1-carboxylate
  参考文献：
  名称：

  Isospecific polymerization of propene by new indolyl-pyridylamido Zr(IV) catalysts

  摘要：

  New zirconium complexes bearing indolyl-pyridylamido ligands [-NNN-] have been synthesized and used as catalysts in ethylene and propene polymerization in the presence of (AlBu2H)-Bu-1/MAO as cocatalytic system. Complexes 1 and 2, bearing ligands with a different steric hindrance on the carbon bridging the pyridine and the aniline moieties, exhibited remarkable catalytic activity for ethylene and propene polymerization, affording ultrahigh molecular weight polymers with monomodal molecular weight distributions. Moreover, the presence of the 2-isopropyl phenyl substituent on the bridging carbon (complex 2) resulted in higher stereoselectivity and regioselectivity providing a polypropylene sample with an [mmmm] content up to 96% and 1.3% of regioinversion. On the other hand, the change of the substituents of the aniline moiety (complex 3) gave a zirconium complex which resulted completely inactive both in the ethylene and propene polymerization. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.12.008