2-(2-carboxy-ethyl)-5-methoxy-benzoic acid | 2717-56-8

• 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: 2-(2-carboxy-ethyl)-5-methoxy-benzoic acid
• 英文别名: 2-(2-Carboxyethyl)-5-methoxybenzoesaeure；2-(2-carboxyethyl)-5-methoxybenzoic acid；3-(2-carboxy-4-methoxy-phenyl)-propionic acid；3-(2-Carboxy-4-methoxy-phenyl)-propionsaeure；3-(2-Carboxy-4-methoxyphenyl)-propionsaeure
• CAS: 2717-56-8
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: DDZRYKAOGABMSS-UHFFFAOYSA-N

物化性质

• 熔点：
  194-195.5 °C
• 沸点：
  430.7±30.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-carboxy-ethyl)-5-methoxy-benzoic acid 在 三氯化铝 、 硫酸 、 sodium chloride 作用下， 反应 3.0h， 生成 methyl 6-hydroxy-1-oxo-indan-4-carboxylate
  参考文献：
  名称：

  Selective induction of secondary metabolism in Phaseolus lunatus by 6-substituted indanoyl isoleucine conjugates

  摘要：

  A novel and highly efficient route to new indanoyl isoleucine conjugates is described, which allows a wide range of substituents to be attached to the 6-position of the indanoyl moiety. We report the synthesis of conjugates with methyl, methoxy, propoxy, allyloxy, pentoxy, and 2-(2-methoxy-ethoxy)-ethoxy 6-position substituents. Preliminary biological activities of the novel compounds with significantly enhanced water solubility were determined using the Lima bean (Phaseolus lunatus) volatile bioassay. The compounds induce variable volatile patterns, and structure-activity relationships show an ability to differentially induce separate pathways leading to secondary metabolites. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(02)00397-7
• 作为产物：
  描述：

  3-(4-甲氧基苯甲酰基)丙酸 在 potassium permanganate 、 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 生成 2-(2-carboxy-ethyl)-5-methoxy-benzoic acid
  参考文献：
  名称：

  Beckmann fragmentation of an .alpha.-methylthio ketoxime

  摘要：

  DOI：

  10.1021/ja01020a027

文献信息

• 6-Substituted indanoyl amino acid conjugates as mimics to the biological activity of coronatine
  申请人：——

  公开号：US20040087655A1

  公开（公告）日：2004-05-06

  Described are 6-substituted indanoyl amino acid conjugates as defined in claim 1 of the present invention as potent plant elicitors and efficient mimics of the phytotoxin coronatine. Also, processes for producing the improved elicitors are provided, which allow a rapid and convenient access to large quantifies of the highly active compounds. Furthermore, there are compositions and plant protecting agents described, comprising as active ingredient a compound of the present invention. The plant protecting agents are useful for inducing resistance to pathogens in plants. The compositions may also be used to selectively induce senescence in fruit of plants.

  本发明涉及的是6-取代的吲哚酰氨基酸共轭物，作为强效植物诱导剂和植物毒素冠状病毒的高效模拟剂，如本发明权利要求书1所定义的。同时，本发明提供了生产改进诱导剂的方法，该方法允许快速便捷地获得大量高活性化合物。此外，还描述了包括本发明化合物作为活性成分的组合物和植物保护剂。植物保护剂可用于诱导植物对病原体的抗性。组合物还可用于选择性诱导植物果实的衰老。
• A Plan for Distinguishing between Some Five- and Six-membered Ring Ketones
  作者：William S. Johnson、Wesley E. Shelberg

  DOI：10.1021/ja01226a038

  日期：1945.10
• Evaluation and Synthesis of Polar Aryl- and Heteroaryl Spiroazetidine-Piperidine Acetamides as Ghrelin Inverse Agonists
  作者：Suvi T. M. Orr、Ramsay Beveridge、Samit K. Bhattacharya、Kimberly O. Cameron、Steven Coffey、Dilinie Fernando、David Hepworth、Margaret V. Jackson、Vishal Khot、Rachel Kosa、Kimberly Lapham、Paula M. Loria、Kim F. McClure、Jigna Patel、Colin Rose、James Saenz、Ingrid A. Stock、Gregory Storer、Maria von Volkenburg、Derek Vrieze、Guoqiang Wang、Jun Xiao、Yingxin Zhang

  DOI：10.1021/ml500414n

  日期：2015.2.12

  Several polar heteroaromatic acetic acids and their piperidine amides were synthesized and evaluated as ghrelin or type 1a growth hormone secretagogue receptor (GHS-R1a) inverse agonists. Efforts to improve pharmacokinetic and safety profile was achieved by modulating physicochemical properties and, more specifically, emphasizing increased polarity of our chemical series. ortho-Carboxamide containing compounds provided optimal physicochemical, pharmacologic, and safety profile. pH-dependent chemical stability was also assessed with our series.
• Onusseit, Oliver; Meise, Werner, Liebigs Annalen, 1996, # 9, p. 1483 - 1485
  作者：Onusseit, Oliver、Meise, Werner

  DOI：——

  日期：——
• 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE
  申请人：Max-Planck-Gesellschaft zur Förderungder Wissenschaften e.V.

  公开号：EP1351922A2

  公开（公告）日：2003-10-15