2,9,16-Triethyl-6,13,20-tris(ethylamino)-2,9,16-triazatetracyclo[16.3.1.14,8.111,15]tetracosa-1(22),4,6,8(24),11,13,15(23),18,20-nonaene-3,10,17-trione | 1039663-38-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,9,16-Triethyl-6,13,20-tris(ethylamino)-2,9,16-triazatetracyclo[16.3.1.14,8.111,15]tetracosa-1(22),4,6,8(24),11,13,15(23),18,20-nonaene-3,10,17-trione
• CAS: 1039663-38-1
• 化学式: C₃₃H₄₂N₆O₃
• 分子量: 570.735
• InChiKey: PHQWJTMGIZBXGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  97
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,9,16-Triethyl-6,13,20-tris(ethylamino)-2,9,16-triazatetracyclo[16.3.1.14,8.111,15]tetracosa-1(22),4,6,8(24),11,13,15(23),18,20-nonaene-3,10,17-trione 、 均苯三甲酸 在 三苯基二氯化膦 作用下， 以 1,1,2,2-四氯乙烷 为溶剂， 反应 5.0h， 以56%的产率得到4,11,18,26,30,34-Hexaethyl-4,11,18,26,30,34-hexazaheptacyclo[13.13.2.28,22.13,27.16,10.113,17.120,24]hexatriaconta-1(28),2,6,8,10(36),13(35),14,16,20(32),21,23,27(31)-dodecaene-5,12,19,25,29,33-hexone
  参考文献：
  名称：

  Chiral Spherical Molecule Constructed from Aromatic Amides: Facile Synthesis and Highly Ordered Network Structure in the Crystal

  摘要：

  A novel chiral spherical molecule composed of aromatic amide was synthesized in short steps. The molecule is constructed from four benzene rings connected by six amide bonds and has multiple functionalizable points and an asymmetric structure. The racemic spherical molecule constructed channel network structures in the crystalline state.

  DOI：

  10.1021/jo800585h
• 作为产物：
  描述：

  2,9,16-Triethyl-6,13,20-trinitro-2,9,16-triazatetracyclo[16.3.1.14,8.111,15]tetracosa-1(21),4(24),5,7,11(23),12,14,18(22),19-nonaene-3,10,17-trione 、 乙腈 在 palladium on activated charcoal 3 A molecular sieve 、 氢气 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 204.0h， 以62%的产率得到2,9,16-Triethyl-6,13,20-tris(ethylamino)-2,9,16-triazatetracyclo[16.3.1.14,8.111,15]tetracosa-1(22),4,6,8(24),11,13,15(23),18,20-nonaene-3,10,17-trione
  参考文献：
  名称：

  Chiral Spherical Molecule Constructed from Aromatic Amides: Facile Synthesis and Highly Ordered Network Structure in the Crystal

  摘要：

  A novel chiral spherical molecule composed of aromatic amide was synthesized in short steps. The molecule is constructed from four benzene rings connected by six amide bonds and has multiple functionalizable points and an asymmetric structure. The racemic spherical molecule constructed channel network structures in the crystalline state.

  DOI：

  10.1021/jo800585h