adamantan-1-yl-octyl-amine | 33211-90-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: adamantan-1-yl-octyl-amine
• 英文别名: N-octyladamantan-1-amine
• CAS: 33211-90-4
• 化学式: C₁₈H₃₃N
• 分子量: 263.467
• InChiKey: FZAIZZSFCIYGIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  adamantan-1-yl-octyl-amine 、 异氰酰乙酸乙酯 以 环己烷 为溶剂， 生成 (3-Adamantan-1-yl-3-octyl-ureido)-acetic acid ethyl ester
  参考文献：
  名称：

  DE2052256

  摘要：

  公开号：
• 作为产物：
  描述：

  正辛腈 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 乙二醇二甲醚 为溶剂， 反应 10.0h， 生成 adamantan-1-yl-octyl-amine
  参考文献：
  名称：

  High Fidelity Kinetic Self-Sorting in Multi-Component Systems Based on Guests with Multiple Binding Epitopes

  摘要：

  The molecular recognition platforms of natural systems often possess multiple binding epitopes, each of which has programmed functional consequences. We report the dynamic behavior of a system comprising CB[6], CB[7], and guests cyclohexanediammonium (1) and adamantanealkylammonium (2) that we refer to as a two-faced guest because it contains two distinct binding epitopes. We find that the presence of the two-faced guests-just as is observed for protein targeting in vivo-dictates the kinetic pathway that the system follows toward equilibrium. The influence of two-faced guest structure, cation concentration, cation identity, and individual rate and equilibrium constants on the behavior of the system was explored by a combination of experiment and simulation. Deconstruction of this system led to the discovery of an anomalous host-guest complex (CB[6]center dot 1) whose dissociation rate constant (k(out) = 8.5 x 10(-10) s(-1)) is approximate to 100-fold slower than the widely used avidin, biotin affinity pair. This result, in combination with the analysis of previous systems which uncovered extraordinarily tight binding events (K-a >= 10(12) M-1), highlights the inherent potential of pursuing a systems approach toward supramolecular chemistry.

  DOI：

  10.1021/ja063390j

文献信息

• Ruthenium-Catalyzed Synthesis of Secondary Alkylamines: Selective Alkylation with Aliphatic Amines
  作者：Sebastian Bähn、Dirk Hollmann、Annegret Tillack、Matthias Beller

  DOI：10.1002/adsc.200800353

  日期：2008.9.5

  N-alkylation of tert-alkylamines applying aliphatic amines is described for the first time. In the presence of the Shvo catalyst 1, tert-octylamine 4 and 1-adamantylamine 5 are alkylated using primary, secondary, and even tertiary amines to give the corresponding monoalkylated tert-alkylamine in moderate to very good yields and excellent selectivity. This novel reaction proceeds without an additional

  首次描述了应用脂肪族胺的叔烷基胺的化学选择性N-烷基化。在Shvo催化剂的存在下1，叔-octylamine 4和1-金刚烷基胺5使用伯，仲，和甚至叔胺，得到烷基化的单烷基化对应的叔烷基胺在中度至非常好的产率和良好的选择性。这种新颖的反应无需额外的氢源即可进行，并且氨是唯一的副产物。
• High Fidelity Kinetic Self-Sorting in Multi-Component Systems Based on Guests with Multiple Binding Epitopes
  作者：Pritam Mukhopadhyay、Peter Y. Zavalij、Lyle Isaacs

  DOI：10.1021/ja063390j

  日期：2006.11.1

  The molecular recognition platforms of natural systems often possess multiple binding epitopes, each of which has programmed functional consequences. We report the dynamic behavior of a system comprising CB[6], CB[7], and guests cyclohexanediammonium (1) and adamantanealkylammonium (2) that we refer to as a two-faced guest because it contains two distinct binding epitopes. We find that the presence of the two-faced guests-just as is observed for protein targeting in vivo-dictates the kinetic pathway that the system follows toward equilibrium. The influence of two-faced guest structure, cation concentration, cation identity, and individual rate and equilibrium constants on the behavior of the system was explored by a combination of experiment and simulation. Deconstruction of this system led to the discovery of an anomalous host-guest complex (CB[6]center dot 1) whose dissociation rate constant (k(out) = 8.5 x 10(-10) s(-1)) is approximate to 100-fold slower than the widely used avidin, biotin affinity pair. This result, in combination with the analysis of previous systems which uncovered extraordinarily tight binding events (K-a >= 10(12) M-1), highlights the inherent potential of pursuing a systems approach toward supramolecular chemistry.
• DE2052256
  申请人：——

  公开号：——

  公开（公告）日：——