octyl (3,5-diaminobenzoyl)-L-alaninate | 1374651-12-3

• 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: octyl (3,5-diaminobenzoyl)-L-alaninate
• CAS: 1374651-12-3
• 化学式: C₁₈H₂₉N₃O₃
• 分子量: 335.447
• InChiKey: OVWJGYQSTUFOIH-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  24.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  107.44
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  octyl (3,5-diaminobenzoyl)-L-alaninate 在 三乙基硅烷 、 4-二甲氨基吡啶 、 N-羟基-7-氮杂苯并三氮唑 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Reaction of Bromoacetyl and Sulfhydryl Groups: Efficient Synthesis of Aromatic Oligoamides Consisting of Benzene-1,3,5-tricarboxamide Units

  摘要：

  A series of aromatic oligoamides consisting of benzene-1,3,5-tricarboxamide (BTA) residues linked by thioether bonds were designed and synthesized based on the highly efficient and specific reaction between sulfhydryl and bromoacetyl groups. Initial assessment of the folding of these oligoamides with circular dichroism (CD) spectroscopy showed that these oligoamides could fold into a helical conformation.

  DOI：

  10.1055/s-0035-1560510
• 作为产物：
  描述：

  (S)-octyl 2-aminopropanoate 在 草酰氯 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 octyl (3,5-diaminobenzoyl)-L-alaninate
  参考文献：
  名称：

  Reaction of Bromoacetyl and Sulfhydryl Groups: Efficient Synthesis of Aromatic Oligoamides Consisting of Benzene-1,3,5-tricarboxamide Units

  摘要：

  A series of aromatic oligoamides consisting of benzene-1,3,5-tricarboxamide (BTA) residues linked by thioether bonds were designed and synthesized based on the highly efficient and specific reaction between sulfhydryl and bromoacetyl groups. Initial assessment of the folding of these oligoamides with circular dichroism (CD) spectroscopy showed that these oligoamides could fold into a helical conformation.

  DOI：

  10.1055/s-0035-1560510

文献信息

• One-Pot Formation of Aromatic Tetraurea Macrocycles
  作者：Zehui Wu、Ting Hu、Lan He、Bing Gong

  DOI：10.1021/ol300684j

  日期：2012.5.18

  Treating derivatives of m-phenylenediamine having different electron-richness and reactivities with triphosgene in the presence of triethylamine led to aromatic tetraurea rnacrocycles in high yields. Factors important for efficiently forming these macrocycles include the molar ratio (2:1) between the diamine and triphosgene, reaction temperature (-75 degrees C), and solvent (CH2Cl2). By controlling the order and rate for adding diamines, tetraurea macrocycles consisting of two different types of monomeric residues have also been obtained in high yields.