2-butanoyloxy-5-nitrobenzoic acid | 13736-92-0

• 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: 2-butanoyloxy-5-nitrobenzoic acid
• 英文别名: 2-butoxy-5-nitro-benzoic acid；2-Butoxy-5-nitro-benzoesaeure；1-(2-Carboxy-4-nitrophenoxy)-n-butan；2-Butoxy-5-nitrobenzoic acid
• CAS: 13736-92-0
• 化学式: C₁₁H₁₃NO₅
• mdl: MFCD01529617
• 分子量: 239.228
• InChiKey: WBSCBTJMYWQFTH-UHFFFAOYSA-N

物化性质

• 熔点：
  116-119 °C
• 沸点：
  407.0±30.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-butanoyloxy-5-nitrobenzoic acid 生成 1-(4-Amino-2-carboxyphenoxy)-butan
  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
• 作为产物：
  描述：

  (2-Butoxy-5-nitro-phenyl)-methanol 在 chromium(VI) oxide 、 硫酸 作用下， 以 丙酮 为溶剂， 生成 2-butanoyloxy-5-nitrobenzoic acid
  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

• [EN] PRODRUG OF AN ANTI-INFLAMMATORY ACTIVE INGREDIENT<br/>[FR] PROMÉDICAMENT D'UN PRINCIPE ACTIF ANTI-INFLAMMATOIRE
  申请人：CHEMI SPA

  公开号：WO2013007694A1

  公开（公告）日：2013-01-17

  A process for the preparation of a prodrug of 5-aminosalicylic acid, namely 2-butanoyloxy-5-amino-benzoic acid,and solid forms of such compound are described.

  本文描述了一种制备5-氨基水杨酸的前药，即2-丁酰氧基-5-氨基苯甲酸的过程，并描述了该化合物的固态形式。
• Hydrogen Bonding-Directed Multicomponent Dynamic Covalent Assembly of Mono- and Bimacrocycles. Self-Sorting and Macrocycle Exchange
  作者：Jian-Bin Lin、Xiao-Na Xu、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1021/jo801972s

  日期：2008.12.5

  This paper describes the multicomponent dynamic covalent assembly of macrocyclic structures by utilizing hydrogen bonding-driven zigzag anthranilamides as "leading" components. Two or three amino groups have been introduced to one side of hydrogen bonded anthranilamide oligomers. The preorganization of the frameworks enabled the amino groups to condense with structurally matched aldehydes to form mono- and bimacrocycles in good to quantitative yields. Reactions from Lip to five components have been investigated. which involved one-step formation of up to six imine bonds. The preorganization of the templates highly enhanced the stability of the macrocyclic structures. As a result, all the macrocycles Could be purified by simply recrystallizing the Crude products from suitable solvents. Coexisting experiments of three series of three to five components were also performed, which all revealed that the preorganized precursors possessed high self-sorting capacity. On the basis of the same approach, a hydrazone-based macrocycle was also prepared quantitatively, while an intermacrocycle hydrazone-imine exchange was revealed to facilitate the formation of the hydrazone-based macrocycle from an imine-based macrocycle.
• Mono- and Dialkylaminoethyl Esters of m-Aminoalkoxybenzoic Acids
  作者：Elias Epstein、Mervin Meyer

  DOI：10.1021/ja01620a028

  日期：1955.8
• Derivatives of 4-Amino-2-hydroxybenzoic Acid. III. Thiol Esters
  作者：R. O. Clinton、U. J. Salvador、S. C. Laskowski

  DOI：10.1021/ja01649a035

  日期：1954.10
• US2882295
  申请人：——

  公开号：——

  公开（公告）日：——