N-(3,5-dinitrobenzoyl)alanine butyl ester | 112463-18-0

• 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: N-(3,5-dinitrobenzoyl)alanine butyl ester
• 英文别名: butyl (2S)-2-[(3,5-dinitrobenzoyl)amino]propanoate
• CAS: 112463-18-0
• 化学式: C₁₄H₁₇N₃O₇
• 分子量: 339.305
• InChiKey: XPZONBUKTBNSSR-VIFPVBQESA-N

物化性质

• 沸点：
  476.4±45.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(3,5-dinitrobenzoyl)alanine butyl ester 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， -75.0~40.0 ℃ 、4.0 Pa 条件下， 反应 12.0h， 生成 diisopentyl 55,135-bis(((S)-1-butoxy-1-oxopropan-2-yl)carbamoyl)-3,7,11,15-tetraoxo-2,4,6,8,10,12,14,16-octaaza-1,5,9,13(1,3)-tetrabenzenacyclohexadecaphane-15,95-dicarboxylate
  参考文献：
  名称：

  One-Pot Formation of Aromatic Tetraurea Macrocycles

  摘要：

  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.

  DOI：

  10.1021/ol300684j
• 作为产物：
  描述：

  3,5-二硝基苯甲酸 在 氯化亚砜 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 N-(3,5-dinitrobenzoyl)alanine butyl ester
  参考文献：
  名称：

  One-Pot Formation of Aromatic Tetraurea Macrocycles

  摘要：

  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.

  DOI：

  10.1021/ol300684j

文献信息

• SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS
  申请人：RESEARCH CORPORATION TECHNOLOGIES, INC.

  公开号：EP0532664A1

  公开（公告）日：1993-03-24
• EP0532664A4
  申请人：——

  公开号：EP0532664A4

  公开（公告）日：1993-03-31
• US5080795A
  申请人：——

  公开号：US5080795A

  公开（公告）日：1992-01-14
• [EN] SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS
  申请人：RESEARCH CORPORATION TECHNOLOGIES, INC.

  公开号：WO1991017816A1

  公开（公告）日：1991-11-28

  (EN) The invention relates to a process for the high yield, cost efficient means of separating enantiomers. The process utilizes a supported liquid membrane and a chiral carrier which selectively complexes with one of the two enantiomeric optical configurations (Fig. 1). The invention is also directed to an apparatus adaptable to the continuous and staged separation of enantiomers (Figs. 4 and 11). In one embodiment, the apparatus utilizes a semi-permeable barrier and source and receiving locations each of which may be kept at temperatures which facilitate the complexation and dissociation processes (Figs. 4 and 11).(FR) Un procédé permet de séparer économiquement et avec un rendement élevé des énantiomères. Selon le procédé, on utilise une membrane liquide soutenue et un porteur chiral qui forme sélectivement un composé avec l'une des deux configurations optiques énantiomères (figure 1). Un appareil adaptable à la séparation en continu et par étapes d'énantiomères utilise, dans un premier mode de réalisation, une barrière semiperméable et des sites d'origine et de réception qui peuvent être maintenus tous les deux à des températures qui facilitent les processus de formation et de dissociation de composés (figures 4 et 11).
• 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.