| 1326716-43-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 1326716-43-1
• 化学式: C₇₀H₈₄N₆O₂₄
• 分子量: 1393.46
• InChiKey: GKLCRJHFZHMCSU-VKOZLBNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.44
• 重原子数：
  100.0
• 可旋转键数：
  23.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  361.68
• 氢给体数：
  6.0
• 氢受体数：
  30.0

反应信息

• 作为反应物：
  描述：

  、 zinc diacetate 、 lanthanum(III) acetate 以 not given 为溶剂， 生成
  参考文献：
  名称：

  A Molecular Leverage for Helicity Control and Helix Inversion

  摘要：

  The helical tetranuclear complex [LZn(3)La-(OAc)(3)] having two benzocrown moieties was designed and synthesized as a novel molecular leverage for helicity control and helix inversion. Short alkanediammonium guests H(3)N(+)-(CH(2))(n)NH(3)(+) (n = 4, 6, 8) preferentially stabilized the P-helical isomer of [LZn(3)La(OAc)(3)], while the longer guest H(3)N(+)(CH(2))(12)NH(3)(+) caused a helix inversion to give the M-helical isomer as the major isomer. The differences in the molecular lengths were efficiently translated into helical handedness via the novel molecular leverage mechanism using the gauche/anti conversion of the trans-1,2-disubstituted ethylenediamine unit.

  DOI：

  10.1021/ja205570z
• 作为产物：
  描述：

  2,3-dihydroxy-4-(8-(2-hydroxy-3-methoxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)benzaldehyde 、 在 三乙胺 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 2.0h， 以47.5 mg的产率得到
  参考文献：
  名称：

  A Molecular Leverage for Helicity Control and Helix Inversion

  摘要：

  The helical tetranuclear complex [LZn(3)La-(OAc)(3)] having two benzocrown moieties was designed and synthesized as a novel molecular leverage for helicity control and helix inversion. Short alkanediammonium guests H(3)N(+)-(CH(2))(n)NH(3)(+) (n = 4, 6, 8) preferentially stabilized the P-helical isomer of [LZn(3)La(OAc)(3)], while the longer guest H(3)N(+)(CH(2))(12)NH(3)(+) caused a helix inversion to give the M-helical isomer as the major isomer. The differences in the molecular lengths were efficiently translated into helical handedness via the novel molecular leverage mechanism using the gauche/anti conversion of the trans-1,2-disubstituted ethylenediamine unit.

  DOI：

  10.1021/ja205570z