4-amino-1,7-bis{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-4-{3-N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}propylheptane | 566168-49-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 英文名称: 4-amino-1,7-bis{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-4-{3-N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}propylheptane
• CAS: 566168-49-8
• 化学式: C₄₀H₆₂N₄O₆
• 分子量: 694.955
• InChiKey: DWNPRJWZKYVSLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  50.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  164.53
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 4-amino-1,7-bis{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-4-{3-N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}propylheptane 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以69%的产率得到4-isocyanato-1,7-bis{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-4-{3-N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}propylheptane
  参考文献：
  名称：

  Solid-phase construction: high efficiency dendrimer synthesis using AB3 isocyanate-type monomers

  摘要：

  Solid-phase synthesis is an ideal tool for reactions that require high concentrations and excess reagents and forcing chemical conditions. One such chemistry is that required for dendrimer construction. In this paper the synthesis of a series of symmetrical AB(3) isocyanate-type monomers is reported and used for the preparation of tri-branched dendrimers on the solid-phase. This method not only allows isolable dendrimer but can generate high-loading supports and devices for multivalent presentation. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00463-0
• 作为产物：
  描述：

  三(2-氰乙基)硝基甲烷 在 镍 硼烷四氢呋喃络合物 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 52.0h， 生成 4-amino-1,7-bis{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-4-{3-N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}propylheptane
  参考文献：
  名称：

  Solid-phase construction: high efficiency dendrimer synthesis using AB3 isocyanate-type monomers

  摘要：

  Solid-phase synthesis is an ideal tool for reactions that require high concentrations and excess reagents and forcing chemical conditions. One such chemistry is that required for dendrimer construction. In this paper the synthesis of a series of symmetrical AB(3) isocyanate-type monomers is reported and used for the preparation of tri-branched dendrimers on the solid-phase. This method not only allows isolable dendrimer but can generate high-loading supports and devices for multivalent presentation. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00463-0