(4-{4-[4-(tert-Butoxycarbonylamino-methyl)-phenylamino]-6-chloro-[1,3,5]triazin-2-ylamino}-benzyl)-carbamic acid tert-butyl ester | 263551-61-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: (4-{4-[4-(tert-Butoxycarbonylamino-methyl)-phenylamino]-6-chloro-[1,3,5]triazin-2-ylamino}-benzyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[[4-[[4-chloro-6-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate
• CAS: 263551-61-7
• 化学式: C₂₇H₃₄ClN₇O₄
• 分子量: 556.064
• InChiKey: ZRZSJDVJMMOXGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (4-{4-[4-(tert-Butoxycarbonylamino-methyl)-phenylamino]-6-chloro-[1,3,5]triazin-2-ylamino}-benzyl)-carbamic acid tert-butyl ester 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Dendrimers Based on Melamine. Divergent and Orthogonal, Convergent Syntheses of a G3 Dendrimer

  摘要：

  Both convergent and divergent strategies are used to synthesize 1, a dendrimer comprising triazines linked by diamines, The convergent approach is orthogonal; neither protecting groups nor functional group manipulations are required using the building blocks selected.

  DOI：

  10.1021/ol005585g
• 作为产物：
  描述：

  4-氨基苄胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 42.0h， 生成 (4-{4-[4-(tert-Butoxycarbonylamino-methyl)-phenylamino]-6-chloro-[1,3,5]triazin-2-ylamino}-benzyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Dendrimers Based on Melamine. Divergent and Orthogonal, Convergent Syntheses of a G3 Dendrimer

  摘要：

  Both convergent and divergent strategies are used to synthesize 1, a dendrimer comprising triazines linked by diamines, The convergent approach is orthogonal; neither protecting groups nor functional group manipulations are required using the building blocks selected.

  DOI：

  10.1021/ol005585g

文献信息

• Synthesis and characterization of higher generation dendrons based on melamine using p-aminobenzylamine. Evidence for molecular recognition of Cu(II)
  作者：Wen Zhang、Eric E Simanek

  DOI：10.1016/s0040-4039(01)01007-3

  日期：2001.8

  The difference in nucleophilicity between the amines of p-aminobenzylamine can be used to synthesize dendrimers based on melamine using a convergent, orthogonal approach. The resulting molecules comprise groups that donate and accept hydrogen-bonds, limiting synthetic accessibility due to intermolecular aggregation. Dendrons with molecular weights exceeding 10 kDa can be prepared by this strategy, but yields drop off significantly at the highest generation (D5) due to difficulties in purification. The addition of Cu(II) reduces the extent of aggregation as evident in SEC traces. UV-vis spectroscopy confirms recognition. (C) 2001 Elsevier Science Ltd. All rights reserved.
• The Cucurbit[<i>n</i>]uril Family:  Prime Components for Self-Sorting Systems
  作者：Simin Liu、Christian Ruspic、Pritam Mukhopadhyay、Sriparna Chakrabarti、Peter Y. Zavalij、Lyle Isaacs

  DOI：10.1021/ja055013x

  日期：2005.11.1

  We determined the values of K-a for a wide range of host-guest complexes of cucurbit[n]uril (CB[n]), where n = 6-8, using H-1 NMR competition experiments referenced to absolute binding constants measured by UV/vis titration. We find that the larger homologues-CB[7] and CB[8]-individually maintain the size, shape, and functional group selectivity that typifies the recognition behavior of CB[6]. The cavity of CB[7] is found to effectively host trimethylsilyl groups. Remarkably, the values of Ka for the interaction of CB[7] with adamantane derivatives 22-24 exceeds 10(12) M-1! The high levels of selectivity observed for each CB[n] individually is also observed for the CB[n] family collectively. That is, the selectivities of CB[6], CB[7], and CB[8] toward a common guest can be remarkably large. For example, guests 1, 3, and 11 prefer CB[8] relative to CB[7] by factors greater than 10(7), 10(6), and 3000, respectively. Conversely, guests 23 and 24 prefer CB[7] relative to CB[8] by factors greater than 5100 and 990, respectively. The high levels of selectivity observed individually and collectively for the CB[n] family renders them prime components for the preparation of functional biomimetic self-sorting systems.
• Dendrimers Based on Melamine. Divergent and Orthogonal, Convergent Syntheses of a G3 Dendrimer
  作者：Wen Zhang、Eric E. Simanek

  DOI：10.1021/ol005585g

  日期：2000.3.1

  Both convergent and divergent strategies are used to synthesize 1, a dendrimer comprising triazines linked by diamines, The convergent approach is orthogonal; neither protecting groups nor functional group manipulations are required using the building blocks selected.