4,4',4''-tris(1,3,5,7-tetra-t-butyl-2,6,9-trioxabicyclo[3.3.1]nona-3,7-dien-4-yl-carbonylamino)-triphenylmethane | 693778-86-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4,4',4''-tris(1,3,5,7-tetra-t-butyl-2,6,9-trioxabicyclo[3.3.1]nona-3,7-dien-4-yl-carbonylamino)-triphenylmethane
• 英文别名: N-[4-[bis[4-[(1,3,5,7-tetratert-butyl-2,6,9-trioxabicyclo[3.3.1]nona-3,7-diene-4-carbonyl)amino]phenyl]methyl]phenyl]-1,3,5,7-tetratert-butyl-2,6,9-trioxabicyclo[3.3.1]nona-3,7-diene-4-carboxamide
• CAS: 693778-86-8
• 化学式: C₈₈H₁₂₇N₃O₁₂
• 分子量: 1418.99
• InChiKey: BFXIXHKIFFDKBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.3
• 重原子数：
  103
• 可旋转键数：
  21
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  170
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4,4',4''-tris(1,3,5,7-tetra-t-butyl-2,6,9-trioxabicyclo[3.3.1]nona-3,7-dien-4-yl-carbonylamino)-triphenylmethane 在 盐酸 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 12.0h， 以75%的产率得到4,4',4''-tris(1,3,5,7-tetra-t-butyl-2,4,6,8-tetraoxa-adamantan-9-yl-carbonylamino)-triphenylmethane
  参考文献：
  名称：

  2,6,9-Trioxabicyclo[3.3.1]nona-3,7-dien-4-oyl and tetraoxaadamantan-9-oyl functionalized aromatic di- and triamines: synthesis, stereochemistry and complexation

  摘要：

  Primary amino groups of di- or triaminoaryl compounds add a remarkably stable dioxinyl-alpha-oxoketene affording bis- or tris-[trioxabicyclo[3.3.1]nona-3,7-dienyl (bridged bisdioxine)] systems which can be converted into the corresponding bis- or tris-[2,4,6,8-tetraoxadamantanes] by acidic hydrolysis. Stereochemical peculiarities as well as preliminary host-guest abilities of these molecules are investigated with aid of NMR-spectroscopy, an X-ray analysis and ESI-mass spectrometry. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.01.058
• 作为产物：
  描述：

  4,4’,4"-三氨基三苯甲烷 、 2-[2,6-Di-tert-butyl-5-(2,2-dimethyl-propionyl)-4-oxo-4H-[1,3]dioxin-2-yl]-4,4-dimethyl-pent-1-ene-1,3-dione 以 四氢呋喃 、 乙腈 为溶剂， 反应 240.0h， 以90%的产率得到4,4',4''-tris(1,3,5,7-tetra-t-butyl-2,6,9-trioxabicyclo[3.3.1]nona-3,7-dien-4-yl-carbonylamino)-triphenylmethane
  参考文献：
  名称：

  2,6,9-Trioxabicyclo[3.3.1]nona-3,7-dien-4-oyl and tetraoxaadamantan-9-oyl functionalized aromatic di- and triamines: synthesis, stereochemistry and complexation

  摘要：

  Primary amino groups of di- or triaminoaryl compounds add a remarkably stable dioxinyl-alpha-oxoketene affording bis- or tris-[trioxabicyclo[3.3.1]nona-3,7-dienyl (bridged bisdioxine)] systems which can be converted into the corresponding bis- or tris-[2,4,6,8-tetraoxadamantanes] by acidic hydrolysis. Stereochemical peculiarities as well as preliminary host-guest abilities of these molecules are investigated with aid of NMR-spectroscopy, an X-ray analysis and ESI-mass spectrometry. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.01.058

文献信息

• 2,6,9-Trioxabicyclo[3.3.1]nona-3,7-dien-4-oyl and tetraoxaadamantan-9-oyl functionalized aromatic di- and triamines: synthesis, stereochemistry and complexation
  作者：Werner Heilmayer、Ralf Smounig、Karl Gruber、Walter M.F Fabian、Claudia Reidlinger、C Oliver Kappe、Curt Wentrup、Gert Kollenz

  DOI：10.1016/j.tet.2004.01.058

  日期：2004.3

  Primary amino groups of di- or triaminoaryl compounds add a remarkably stable dioxinyl-alpha-oxoketene affording bis- or tris-[trioxabicyclo[3.3.1]nona-3,7-dienyl (bridged bisdioxine)] systems which can be converted into the corresponding bis- or tris-[2,4,6,8-tetraoxadamantanes] by acidic hydrolysis. Stereochemical peculiarities as well as preliminary host-guest abilities of these molecules are investigated with aid of NMR-spectroscopy, an X-ray analysis and ESI-mass spectrometry. (C) 2004 Elsevier Ltd. All rights reserved.