| 1445691-89-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1445691-89-3
• 化学式: C₄₉H₅₅AlN₄
• 分子量: 726.984
• InChiKey: FPQYMGAITQMJCI-AOGNNABDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 甲苯 为溶剂， 反应 24.0h， 以83%的产率得到
  参考文献：
  名称：

  Aluminum–Ligand Cooperative N–H Bond Activation and an Example of Dehydrogenative Coupling

  摘要：

  Activation of N-H bonds by a molecular aluminum complex via metal-ligand cooperation is described. ((I2P2-)-I-Ph)AlH (1b), in which (I2P2-)-I-Ph is a tridentate bis(imino)pyridine ligand, reacts with anilines to give the N-H-activated products ((HI2P-)-H-Ph)AlH-(NHAr) (2). When heated, 2 releases H-2 and affords ((I2P-)-I-Ph)Al(NHAr) (3). Complex 1b catalyzes the dehydrogenative coupling of benzylamine to afford H-2, NH3, and N-(phenylmethylene)benzenemethanamine.

  DOI：

  10.1021/ja4032874
• 作为产物：
  描述：

  (PhI₂P)AlH(tetrahydrofuran) 以 苯 为溶剂， 反应 28.17h， 生成
  参考文献：
  名称：

  Aluminum–Ligand Cooperative N–H Bond Activation and an Example of Dehydrogenative Coupling

  摘要：

  Activation of N-H bonds by a molecular aluminum complex via metal-ligand cooperation is described. ((I2P2-)-I-Ph)AlH (1b), in which (I2P2-)-I-Ph is a tridentate bis(imino)pyridine ligand, reacts with anilines to give the N-H-activated products ((HI2P-)-H-Ph)AlH-(NHAr) (2). When heated, 2 releases H-2 and affords ((I2P-)-I-Ph)Al(NHAr) (3). Complex 1b catalyzes the dehydrogenative coupling of benzylamine to afford H-2, NH3, and N-(phenylmethylene)benzenemethanamine.

  DOI：

  10.1021/ja4032874

文献信息

• Insight into Varied Reaction Pathways for O–H and N–H Bond Activation by Bis(imino)pyridine Complexes of Al(III)
  作者：Tobias J. Sherbow、Cody R. Carr、Tomoya Saisu、James C. Fettinger、Louise A. Berben

  DOI：10.1021/acs.organomet.5b00743

  日期：2016.1.11

  The activation of O-H bonds in alcohol substrates is the initial step in acceptor-less catalytic dehydrogenation of alcohols. At room temperature, the bis(imino)pyridine-ligated aluminum hydride compound, denoted as ((I2P2-)-I-Ph)AlH (1), activates O-H bonds in alcohols through a metal-ligand cooperative pathway to afford the phenmdde and benzyloxide complexes with protonated ligand: ((HI2P1-)-H-Ph)Al(OR)H, where R = Ph, Bn. Thermochemical measurements indicate that the amido nitrogen of the protonated ligand in ((HI2P1-)-H-Ph)Al(OPh)H is far more basic (pK(a) = 36-45) than the analogous proton for the previously reported ((HI2P1-)-H-Ph)Al(NHPh)H (pK(a) = 10-14), and this is consistent with reactivity we observe, where ((HI2P1-)-H-Ph)Al(OPh)H complexes do not intramolecularly liberate H-2. The inability of ((HI2P1-)-H-Ph)Al(OR)H to release H-2 upon heating precludes access to a four-coordinate Al center and results in an inability of 1 to dehydrogenate benzyl alcohol to benzaldehyde. These observations also lend further support to the mechanism for benzylamine dehydrogenation that we have previously proposed and provide insights for future catalyst design using metalligand cooperative pathways with Al.