4-{[(pyridin-3-ylmethyl)-amino]-methyl}-naphthalene | 796887-33-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-{[(pyridin-3-ylmethyl)-amino]-methyl}-naphthalene
• 英文别名: N-(naphthalen-1-ylmethyl)-1-pyridin-3-ylmethanamine
• CAS: 796887-33-7
• 化学式: C₁₇H₁₆N₂
• 分子量: 248.327
• InChiKey: AXTCUNQBYAOHSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 4-{[(pyridin-3-ylmethyl)-amino]-methyl}-naphthalene 在 potassium hydroxide 作用下， 生成
  参考文献：
  名称：

  Versatile coordination environment and interplay of metal assisted secondary interactions in the organization of supramolecular motifs in new Hg(II)/PhHg(II) dithiolates

  摘要：

  New mercury(II) complexes of the form [PhHg(L)] (L = L1 (1), L2 (2), L3' (3), L4 = (4)); [Hg(L)(2)] (L= L5 (5), L4 (7) and [Hg-2(L6)(4)] (6) have been synthesized and characterized by micro analysis and X-ray crystallography. Both 1 and 2 are linear; complex 2 revealed intramolecular Hg center dot center dot center dot O bonding interactions. Complex 3 possesses T-shaped geometry in a linear polymeric chain motif. Although serendipitously formed, 3 is the first example of a metal trithioxanthate complex. 4 is a typical dimer and in 5, a helical chain motif is generated via Hg center dot center dot center dot S contacts. 6 is a dinuclear complex with distorted square pyramidal geometry. 7 is mononuclear with a tetrahedrally coordinated mercury(II) ion. All complexes are luminescent in solution and solid state. In 2 the nature of Hg center dot center dot center dot O interactions have been assessed by OFT calculations and the electronic transitions in 3 have been corroborated by TDDFT calculations. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.12.005
• 作为产物：
  描述：

  1-naphthalen-1-yl-N-(pyridin-3-ylmethyl)methanimine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 4-{[(pyridin-3-ylmethyl)-amino]-methyl}-naphthalene
  参考文献：
  名称：

  合成新型不对称取代仲胺的可扩展方法

  摘要：

  探索了快速，简便，可扩展的方法，用于通过还原胺化合成包含萘，吲哚，吡啶和咪唑部分的不对称取代的仲胺。所研究的操作程序在50至30 mmol的规模上是成功的，并且具有扩大规模的巨大潜力。

  DOI：

  10.2298/jsc110408173r

文献信息

• Scalable methodologies for the synthesis of novel unsymmetrically-substituted secondary amines
  作者：Gheorghe Roman

  DOI：10.2298/jsc110408173r

  日期：——

  Fast, easy, and scalable methodologies for the synthesis of unsym- metrically substituted secondary amines containing naphthalene, indole, pyri- dine and imidazole moieties through reductive amination were explored. The investigated operating procedures were successful on a 50- to 30-mmol scale, and present a high potential for up-scaling.

  探索了快速，简便，可扩展的方法，用于通过还原胺化合成包含萘，吲哚，吡啶和咪唑部分的不对称取代的仲胺。所研究的操作程序在50至30 mmol的规模上是成功的，并且具有扩大规模的巨大潜力。
• Versatile coordination environment and interplay of metal assisted secondary interactions in the organization of supramolecular motifs in new Hg(II)/PhHg(II) dithiolates
  作者：Gunjan Rajput、Manoj Kumar Yadav、Tejender S. Thakur、Michael G.B. Drew、Nanhai Singh

  DOI：10.1016/j.poly.2013.12.005

  日期：2014.2

  New mercury(II) complexes of the form [PhHg(L)] (L = L1 (1), L2 (2), L3' (3), L4 = (4)); [Hg(L)(2)] (L= L5 (5), L4 (7) and [Hg-2(L6)(4)] (6) have been synthesized and characterized by micro analysis and X-ray crystallography. Both 1 and 2 are linear; complex 2 revealed intramolecular Hg center dot center dot center dot O bonding interactions. Complex 3 possesses T-shaped geometry in a linear polymeric chain motif. Although serendipitously formed, 3 is the first example of a metal trithioxanthate complex. 4 is a typical dimer and in 5, a helical chain motif is generated via Hg center dot center dot center dot S contacts. 6 is a dinuclear complex with distorted square pyramidal geometry. 7 is mononuclear with a tetrahedrally coordinated mercury(II) ion. All complexes are luminescent in solution and solid state. In 2 the nature of Hg center dot center dot center dot O interactions have been assessed by OFT calculations and the electronic transitions in 3 have been corroborated by TDDFT calculations. (C) 2013 Elsevier Ltd. All rights reserved.