2-[3-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]propylamino]cyclohepta-2,4,6-trien-1-one | 103590-86-9

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 2-[3-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]propylamino]cyclohepta-2,4,6-trien-1-one
• CAS: 103590-86-9
• 化学式: C₁₇H₁₈N₂O₂
• 分子量: 282.342
• InChiKey: RXJSJVSEMWQZBO-UHFFFAOYSA-N

物化性质

• 沸点：
  557.3±50.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[3-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]propylamino]cyclohepta-2,4,6-trien-1-one 在 六甲基磷酰三胺 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 38.5h， 生成 6,7,8,9,16,17,18,19-octahydrodicyclohepta[b,i][1,4,8,11]tetraazacyclotetradecene
  参考文献：
  名称：

  Tropocoronands, a new class of metal-complexing macrocycles derived from aminotroponeiminates

  摘要：

  DOI：

  10.1021/ja00345a070
• 作为产物：
  描述：

  2-氯-2,4,6-环庚三烯-1-酮 生成 2-[3-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]propylamino]cyclohepta-2,4,6-trien-1-one
  参考文献：
  名称：

  IMASIRO, SEHJITI;XIGASI, NAOKI;NOFUKU, TEHTSUO;NAKANISI, KADZI

  摘要：

  DOI：

文献信息

• Chiral tropocoronands: Synthesis and metal complex formation
  作者：Philip J. Chenier、Andrew S. Judd、Tami L. Raguse、Thomas R. Hoye

  DOI：10.1016/s0040-4039(97)01783-8

  日期：1997.10

  The synthesis of several chiral tropocoronands based on 1,2-cyclohexanediamine (7) and 1,2-diphenylethylenediamine (8) has been accomplished. X-ray crystallography has confirmed the structure of two metallated derivatives, Cu(II)(TC-4,cyhex) (9) and Ni(II)(TC-4,cyhex) (10), that are indicative of the types of chiral complexes that can be formed from these systems. (C) 1997 Elsevier Science Ltd.
• SYNTHESIS AND X-RAY CRYSTALLOGRAPHY OF CHIRAL TROPOCORONANDS
  作者：Philip J. Chenier、Jason A. Halfen、Tami L. Raguse、Autumn E. Rich、Kathryn E. Splan、Kazuki Yoshioka、Thomas R. Hoye

  DOI：10.1081/scc-100000574

  日期：2001.1

  The synthesis of several chiral tropocoronands (6 and 7) has been accomplished. These compounds have been shown to complex with various metals. Tropocoronands that have been synthesized include H-2(TC-3,cyhex) through H2(TC-G,cyhex) (6) and H-2(TC-3,diphen) through H-2(TC-6,diphen) (7). The route is short and the tropocoronands are easily purified by chromatography or recrystallization. Two other groups have been incorporated into tropocoronands, H-2(TC-3,binap) (9) and H-2(TC-6,pent) (10).
• Synthesis of Tris- and Tetrakis(tropocoronand)s Having Short Linker Chains
  作者：Kimio Shindo、Hidetsugu Wakabayashi、Luo-Cheng Zhang、Sumio Ishikawa、Tatsuo Nozoe

  DOI：10.3987/com-94-s(b)56

  日期：——

  The syntheses of tris- and tetrakis(tropocoronand)s, a kind of macrocycles derived three or four aminotropone imine moieties bridged by three or four short methylene linker chains are described. These tropocoronands were prepared by the reaction of bis(2-methoxytropone imine)salts with alpha,omega-alkanediamine using a template or with tropopodand derived from benzo[b]cyclohepta[e][1,4]oxazine with N-acetyl-1,2-ethanediamine by an intermolecular heterocycle exchange reaction.
• Tropocoronands, a new class of metal-complexing macrocycles derived from aminotroponeiminates
  作者：Seichi Imajo、Koji Nakanishi、Michael Roberts、Stephen J. Lippard、Tetsuo Nozoe

  DOI：10.1021/ja00345a070

  日期：1983.4
• IMASIRO, SEHJITI;XIGASI, NAOKI;NOFUKU, TEHTSUO;NAKANISI, KADZI
  作者：IMASIRO, SEHJITI、XIGASI, NAOKI、NOFUKU, TEHTSUO、NAKANISI, KADZI

  DOI：——

  日期：——