[6-Ethoxycarbonylamino-4-(12-mercapto-dodecyloxy)-pyridin-2-yl]-carbamic acid ethyl ester | 285564-88-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [6-Ethoxycarbonylamino-4-(12-mercapto-dodecyloxy)-pyridin-2-yl]-carbamic acid ethyl ester
• CAS: 285564-88-7
• 化学式: C₂₃H₃₉N₃O₅S
• 分子量: 469.646
• InChiKey: BXJLJZZFWVLQGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.43
• 重原子数：
  32.0
• 可旋转键数：
  17.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  98.78
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [6-Ethoxycarbonylamino-4-(12-mercapto-dodecyloxy)-pyridin-2-yl]-carbamic acid ethyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 12-(2,6-Diamino-pyridin-4-yloxy)-dodecane-1-thiol
  参考文献：
  名称：

  Noncovalent Self-Assembly of Silver Nanocrystal Aggregates in Solution

  摘要：

  Size monodisperse silver nanocrystals have been stabilized by chemisorption of long-chain alkane thiols incorporating a receptor site. When dispersed in a suitable solvent these nanocrystals recognize and selectively bind a long-chain alkane incorporating two complementary substrate sites and are noncovalently linked. The nanocrystal aggregates formed as a result have been studied by NMR, FT-IR, and dynamic light scattering. As a consequence, it has been possible to characterize the interactions between the receptor and substrate sites that lead to nanocrystal aggregation. It has also been possible to gain insights into the factors that affect the size, shape, and internal structure of the nanocrystal aggregates formed. An important insight is that the kinetics of nanocrystal aggregation, and as a consequence the structure of the nanocrystal aggregates formed, depends on the number of receptor sites at the surface of a nanocrystal.

  DOI：

  10.1021/jp0006173
• 作为产物：
  描述：

  4-(12-Mercapto-dodecyloxy)-pyridine-2,6-dicarboxylic acid diethyl ester 在 盐酸 、 肼 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 29.0h， 生成 [6-Ethoxycarbonylamino-4-(12-mercapto-dodecyloxy)-pyridin-2-yl]-carbamic acid ethyl ester
  参考文献：
  名称：

  Noncovalent Self-Assembly of Silver Nanocrystal Aggregates in Solution

  摘要：

  Size monodisperse silver nanocrystals have been stabilized by chemisorption of long-chain alkane thiols incorporating a receptor site. When dispersed in a suitable solvent these nanocrystals recognize and selectively bind a long-chain alkane incorporating two complementary substrate sites and are noncovalently linked. The nanocrystal aggregates formed as a result have been studied by NMR, FT-IR, and dynamic light scattering. As a consequence, it has been possible to characterize the interactions between the receptor and substrate sites that lead to nanocrystal aggregation. It has also been possible to gain insights into the factors that affect the size, shape, and internal structure of the nanocrystal aggregates formed. An important insight is that the kinetics of nanocrystal aggregation, and as a consequence the structure of the nanocrystal aggregates formed, depends on the number of receptor sites at the surface of a nanocrystal.

  DOI：

  10.1021/jp0006173