N-[2,4-dimethoxy-5-(2-methoxybenzoylamino)phenyl]-2-methoxyisophthalamic acid | 774236-31-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2,4-dimethoxy-5-(2-methoxybenzoylamino)phenyl]-2-methoxyisophthalamic acid
• 英文别名: 3-[[2,4-Dimethoxy-5-[(2-methoxybenzoyl)amino]phenyl]carbamoyl]-2-methoxybenzoic acid
• CAS: 774236-31-6
• 化学式: C₂₅H₂₄N₂O₈
• 分子量: 480.474
• InChiKey: RCDVIBLSXTWTKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-[2,4-dimethoxy-5-(2-methoxybenzoylamino)phenyl]-2-methoxyisophthalamic acid 、 N-(5-amino-2,4-dimethoxyphenyl)-N'-[2,4-dimethoxy-5-(2-methoxybenzoylamino)phenyl]-2-methoxyisophthalamide 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以30%的产率得到N,N'-(4,6-dimethoxy-m-phenylene)bis[2-methoxy-3-[2,4-dimethoxy-5-(2-methoxybenzoylamino)phenyl]aminocarbonyl]benzamide
  参考文献：
  名称：

  Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane

  摘要：

  Four oligoanthranilamides 1-4, which are incorporated with three, five, seven, or nine benzene units, respectively, have been synthesized and characterized. X-ray analysis, 1D and 2D H-1 NMR, and IR experiments reveal that all the new oligoamides adopt rigid, planar and zigzagged conformations in both solution and solid state, which are stabilized by intramolecular three-center hydrogen bonding. A 5-mer oligomer 22, which is incorporated with two acetylene groups at the ends, has also been synthesized and utilized for the self-assembly of a rigid hydrogen-bonded metallocyclophane. The new rigid oligoanthranilamides represent useful building blocks for the construction of supramolecular architectures.

  DOI：

  10.1021/jo0490705
• 作为产物：
  描述：

  4,6-二甲氧基苯-1,3-二胺 在 lithium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 N-[2,4-dimethoxy-5-(2-methoxybenzoylamino)phenyl]-2-methoxyisophthalamic acid
  参考文献：
  名称：

  Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane

  摘要：

  Four oligoanthranilamides 1-4, which are incorporated with three, five, seven, or nine benzene units, respectively, have been synthesized and characterized. X-ray analysis, 1D and 2D H-1 NMR, and IR experiments reveal that all the new oligoamides adopt rigid, planar and zigzagged conformations in both solution and solid state, which are stabilized by intramolecular three-center hydrogen bonding. A 5-mer oligomer 22, which is incorporated with two acetylene groups at the ends, has also been synthesized and utilized for the self-assembly of a rigid hydrogen-bonded metallocyclophane. The new rigid oligoanthranilamides represent useful building blocks for the construction of supramolecular architectures.

  DOI：

  10.1021/jo0490705

文献信息

• Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane
  作者：Jiang Zhu、Xiao-Zhong Wang、Ying-Qi Chen、Xi-Kui Jiang、Xin-Zhi Chen、Zhan-Ting Li

  DOI：10.1021/jo0490705

  日期：2004.9.1

  Four oligoanthranilamides 1-4, which are incorporated with three, five, seven, or nine benzene units, respectively, have been synthesized and characterized. X-ray analysis, 1D and 2D H-1 NMR, and IR experiments reveal that all the new oligoamides adopt rigid, planar and zigzagged conformations in both solution and solid state, which are stabilized by intramolecular three-center hydrogen bonding. A 5-mer oligomer 22, which is incorporated with two acetylene groups at the ends, has also been synthesized and utilized for the self-assembly of a rigid hydrogen-bonded metallocyclophane. The new rigid oligoanthranilamides represent useful building blocks for the construction of supramolecular architectures.