4,6-bis((naphthalen-2-ylamino)methyl)benzene-1,3-diamine | 914783-29-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,6-bis((naphthalen-2-ylamino)methyl)benzene-1,3-diamine
• CAS: 914783-29-2
• 化学式: C₂₈H₂₆N₄
• 分子量: 418.541
• InChiKey: QNWVSIXMCJQBQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.38
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  76.1
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4,6-bis((naphthalen-2-ylamino)methyl)benzene-1,3-diamine 、 聚合甲醛 以 三氟乙酸 为溶剂， 以5%的产率得到1,5,17,23-Tetrazanonacyclo[21.11.1.15,17.02,21.04,19.07,16.08,13.024,33.027,32]hexatriaconta-2(21),3,7(16),8,10,12,14,19,24(33),25,27,29,31-tridecaene
  参考文献：
  名称：

  Overcoming Regioselectivity Issues Inherent in Bis-Tröger's Base Preparation

  摘要：

  [GRAPHICS]Bis-Troger's base derivatives are a new family of molecular tweezers. A major drawback to their study is a lack of commercially available precursors, ortho-nitrocarboxylic acids. A reverse synthetic strategy starting from known dinitrodicarboxylic acids, which circumvents this problem, is presented. Via this methodology regioisomeric bis-TB derivatives can be prepared selectively, using only common aromatic amines that are typically commercially available.

  DOI：

  10.1021/ol061913m
• 作为产物：
  描述：

  N1,N3-di(naphthalen-2-yl)-4,6-dinitrobenzene-1,3-diamide 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 4,6-bis((naphthalen-2-ylamino)methyl)benzene-1,3-diamine
  参考文献：
  名称：

  Overcoming Regioselectivity Issues Inherent in Bis-Tröger's Base Preparation

  摘要：

  [GRAPHICS]Bis-Troger's base derivatives are a new family of molecular tweezers. A major drawback to their study is a lack of commercially available precursors, ortho-nitrocarboxylic acids. A reverse synthetic strategy starting from known dinitrodicarboxylic acids, which circumvents this problem, is presented. Via this methodology regioisomeric bis-TB derivatives can be prepared selectively, using only common aromatic amines that are typically commercially available.

  DOI：

  10.1021/ol061913m