1,2-benzenedipentanoic acid | 4444-24-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1,2-benzenedipentanoic acid
• 英文别名: 5,5'-o-phenylene-di-valeric acid；5,5'-o-Phenylen-di-valeriansaeure；Phenylenedivaleric acid；5-[2-(4-carboxybutyl)phenyl]pentanoic acid
• CAS: 4444-24-0
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: OYQDABCSVSCAAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-benzenedipentanoic acid 在 吡啶 、 氢氧化钾 、 氯化亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 、 氯苯 、 甲苯 、 苯 为溶剂， 反应 47.5h， 生成 21-hydroxy-19-oxa-tricyclo[15.2.2.0^6,11]heneicosa-1⁽²⁰⁾,6,8,10,17⁽²¹⁾-pentaene-16,18-dione
  参考文献：
  名称：

  Convenient Synthesis of Chiral Cyclophanes that Can Coordinate to Metals

  摘要：

  Optically pure cyclophanes possessing a 1,3-dicarbonyl moiety were conveniently synthesized from alkanedioyl dichloride in four steps. The intramolecular [4+2]cycloaddition of bis(acylketene)s generated by thermal decomposition of bis(4,6-dioxo-1,3-dioxane) proceeded smoothly, giving cyclophane pyranones in high yields. The compounds possessing 7-10 bridging methylenes were resolved by imine formation with (R)-1-phenylethylamine, followed by basic hydrolysis. These cyclophanes are optically active versions of acetylacetone or salicylaldehyde and formed complexes with metals such as copper and europium. X-ray analysis of the chiral copper complex indicated the pentacoordinated structure of the copper metal with syn configuration of the two bridging chains.

  DOI：

  10.1021/ja983907u
• 作为产物：
  描述：

  3-[2-(2-ethoxycarbonyl-ethyl)-phenyl]-propionic acid ethyl ester 在 乙醇 、 氢溴酸 、 sodium 作用下， 生成 1,2-benzenedipentanoic acid
  参考文献：
  名称：

  ON THE FORMATION OF SYMMETRICAL DIBENZO-CYCLO-DOCOSANE-DIONE

  摘要：

  尝试合成了一个连接到苯正位的十一元碳环。通过对邻苯二戊酸的钍盐进行干馏，形成了一个二十二元二酮环。报告还附带介绍了合成过程中产生的几种新化合物。

  DOI：

  10.1246/bcsj.11.19

文献信息

• [EN] USE OF DICARBOXYLIC ACID COMPOUNDS FOR CONTROLLING PLANT DISEASES<br/>[FR] UTILISATION DE COMPOSÉS D'ACIDE DICARBOXYLIQUE POUR LUTTER CONTRE LES MALADIES DES PLANTES
  申请人：UNIV CHINA AGRICULTURAL

  公开号：WO2020253077A1

  公开（公告）日：2020-12-24

  Disclosed is the use of a dicarboxylic acid compound for controlling plant diseases by fungi and oomycetes, wherein a dicarboxylic acid compound is selected from compounds of formulas (I), (II), (III) and (IV), as well as isomers, hydrates or salts thereof. The dicarboxylic acid compounds have remarkably inhibitory activity against appressorium formation by fungi or oomycetes, and therefore, can be used for controlling diseases, such as rice blast, anthracnose, downy mildew, phytophthora blight, gray mold, etc., with no obvious phytotoxicity and good safety. Compared with fungicides currently used for controlling plant diseases such as rice blast, anthracnose, downy mildew, phytophthora blight, gray mold, etc., the dicarboxylic acid compounds have characteristics such as good preventive effect, environmental friendliness, non-toxicity, low residue, and safety.