1-(4-Amino-2-carbamoylphenoxy)-octan | 13738-10-8

• 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: 1-(4-Amino-2-carbamoylphenoxy)-octan
• 英文别名: Benzamide, 5-amino-8-(octyloxy)-；5-amino-2-octoxybenzamide
• CAS: 13738-10-8
• 化学式: C₁₅H₂₄N₂O₂
• mdl: MFCD01666710
• 分子量: 264.368
• InChiKey: RRLRYJYHXXNOCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.533
• 拓扑面积：
  78.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Amino-2-carbamoylphenoxy)-octan 在 palladium on activated charcoal 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 生成
  参考文献：
  名称：

  Duplex Foldamers from Assembly Induced Folding

  摘要：

  Oligoamide strands 1, 2, and 3, consisting of 4-H-bond units, were originally designed to form noncovalent polymers based on the expectation that they would adopt an extended conformation. Instead of assembling into the expected supramolecular polymer through their 4-H-bond units, the 1:1 mixture of 1 and 2 was found to form a highly stable dimeric species. To dimerize, the H-bonding sequences of 1 and 2 can only adopt a folded (stacked) conformation. The self-assembly of 3 was also found to adopt a similar folded duplex conformation. These novel duplex foldamers are very stable. They were characterized by 1D and 2D 1H NMR, VPO, and mass spectral (ESI) studies.

  DOI：

  10.1021/ja0361897
• 作为产物：
  描述：

  2-(辛氧基)-5-硝基-苯甲酸 生成 1-(4-Amino-2-carbamoylphenoxy)-octan
  参考文献：
  名称：

  血吸虫病的化学疗法。第八部分 2-羧基和2-氨基甲酰基-4-氨基苯基醚

  摘要：

  通过引入羧基-，氨基甲酰基-，烷基磺酰基-和一些其他核取代基进行结构活性研究，继续进行了一系列血吸虫的对氨基苯醚的合成工作。

  DOI：

  10.1039/j39660002196

文献信息

• The chemotherapy of schistosomiasis. Part VIII. 2-Carboxy- and 2-carbamoyl-4-aminophenyl ethers
  作者：R. F. Collins、M. Davis

  DOI：10.1039/j39660002196

  日期：——

  Synthetic work in the series of schistosomicidal p-aminophenyl ethers has been continued with the introduction of carboxy-, carbamoyl-, alkylsulphonyl-, and some miscellaneous nuclear substituents for structure–activity studies.

  通过引入羧基-，氨基甲酰基-，烷基磺酰基-和一些其他核取代基进行结构活性研究，继续进行了一系列血吸虫的对氨基苯醚的合成工作。
• Duplex Foldamers from Assembly Induced Folding
  作者：Xiaowu Yang、Suzana Martinovic、Richard D. Smith、Bing Gong

  DOI：10.1021/ja0361897

  日期：2003.8.1

  Oligoamide strands 1, 2, and 3, consisting of 4-H-bond units, were originally designed to form noncovalent polymers based on the expectation that they would adopt an extended conformation. Instead of assembling into the expected supramolecular polymer through their 4-H-bond units, the 1:1 mixture of 1 and 2 was found to form a highly stable dimeric species. To dimerize, the H-bonding sequences of 1 and 2 can only adopt a folded (stacked) conformation. The self-assembly of 3 was also found to adopt a similar folded duplex conformation. These novel duplex foldamers are very stable. They were characterized by 1D and 2D 1H NMR, VPO, and mass spectral (ESI) studies.