Dodecyl 2-[[4-chloro-6-[(2-dodecoxycarbonylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate | 259184-75-3

• 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: Dodecyl 2-[[4-chloro-6-[(2-dodecoxycarbonylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
• 英文别名: dodecyl 2-[[4-chloro-6-[(2-dodecoxycarbonylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
• CAS: 259184-75-3
• 化学式: C₄₅H₆₂ClN₃O₆
• 分子量: 776.457
• InChiKey: XLJSNDLFMZSOCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 重原子数：
  55
• 可旋转键数：
  30
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Dodecyl 2-[[4-chloro-6-[(2-dodecoxycarbonylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate 在 sodium azide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 Dodecyl 2-[[4-azido-6-[(2-dodecoxycarbonylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
  参考文献：
  名称：

  Synthesis and Structure of Intramolecularly Hydrogen Bonded Dendrons

  摘要：

  [GRAPHICS]A convenient synthesis of monodendrons whose conformation is restricted through the intervention of intramolecular hydrogen bonding and repulsive electrostatic interactions is described. X-ray crystal structure analysis of the second generation dendron shows the presence of a propeller-type secondary structure and indicates that the dendrons have assembled into a symmetrically interdigitated dimer in the solid state. H-1 NMR and IR spectral data are in agreement with the presence of intramolecular hydrogen bonding between the amides and the pyridine N throughout the dendron structure in solution.

  DOI：

  10.1021/ol990250o
• 作为产物：
  描述：

  4-氧代-1,4-二氢-2,6-吡啶二甲酸 在 吡啶 、 4-二甲氨基吡啶 、 三氯氧磷 作用下， 生成 Dodecyl 2-[[4-chloro-6-[(2-dodecoxycarbonylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
  参考文献：
  名称：

  Synthesis and Structure of Intramolecularly Hydrogen Bonded Dendrons

  摘要：

  [GRAPHICS]A convenient synthesis of monodendrons whose conformation is restricted through the intervention of intramolecular hydrogen bonding and repulsive electrostatic interactions is described. X-ray crystal structure analysis of the second generation dendron shows the presence of a propeller-type secondary structure and indicates that the dendrons have assembled into a symmetrically interdigitated dimer in the solid state. H-1 NMR and IR spectral data are in agreement with the presence of intramolecular hydrogen bonding between the amides and the pyridine N throughout the dendron structure in solution.

  DOI：

  10.1021/ol990250o

文献信息

• Effect of Terminal Group Sterics and Dendron Packing on Chirality Transfer from the Central Core of a Dendrimer
  作者：Preete Gandhi、Baohua Huang、Judith C. Gallucci、Jon R. Parquette

  DOI：10.1021/ol016409q

  日期：2001.10.1

  [structure: see text] The conformational properties of intramolecularly hydrogen-bonded dendrimers constructed from (S)-1,1'-bi-2-naphthol as a chiral central core are described. Circular dichroism studies revealed that chirality transfer to the periphery occurs only when sterically demanding terminal esters are employed and when packing interactions are present.

  [结构：见正文]描述了由（S）-1,1'-bi-2-萘酚作为手性中心核构成的分子内氢键结合的树枝状聚合物的构象性质。圆二色性研究表明，仅当使用空间要求的末端酯并且存在堆积相互作用时，手性才发生向外围的转移。