2-[[2-[(2-羧基苯氧基)甲基]-4,5-二甲基苯基]甲氧基]苯甲酸 | 856685-85-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[[2-[(2-羧基苯氧基)甲基]-4,5-二甲基苯基]甲氧基]苯甲酸
• 英文名称: 2,2'-[(4,5-Dimethyl-1,2-phenylene)bis(methyleneoxy)]dibenzoic acid
• 英文别名: 2-[[2-[(2-carboxyphenoxy)methyl]-4,5-dimethylphenyl]methoxy]benzoic acid
• CAS: 856685-85-3
• 化学式: C₂₄H₂₂O₆
• 分子量: 406.435
• InChiKey: LIKLYKQDZJLIFD-UHFFFAOYSA-N

物化性质

• 熔点：
  178-180 °C
• 沸点：
  624.1±50.0 °C(Predicted)
• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[[2-[(2-羧基苯氧基)甲基]-4,5-二甲基苯基]甲氧基]苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-[[2-[(2-Carbonochloridoylphenoxy)methyl]-4,5-dimethylphenyl]methoxy]benzoyl chloride
  参考文献：
  名称：

  Synthesis, characterization and ion transportation studies of some novel cyclophane amides

  摘要：

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.064
• 作为产物：
  描述：

  1,2-二(氯甲基)-4,5-二甲苯 在 氢氧化钾 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 8.0h， 生成 2-[[2-[(2-羧基苯氧基)甲基]-4,5-二甲基苯基]甲氧基]苯甲酸
  参考文献：
  名称：

  Synthesis, characterization and ion transportation studies of some novel cyclophane amides

  摘要：

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.064

文献信息

• Synthesis, characterization, and anti-bacterial efficacy of some novel cyclophane amide
  作者：Perumal Rajakumar、A. Mohammed Abdul Rasheed、P.M. Balu、K. Murugesan

  DOI：10.1016/j.bmc.2006.07.020

  日期：2006.11

  Synthesis of macrocyclic di, tetra- and hexaamides with aza and oxy linkages has been achieved and the inhibitory activity of cyclophane amides against human pathogenic bacteria well documented. (c) 2006 Elsevier Ltd. All rights reserved.
• Synthesis, characterization and ion transportation studies of some novel cyclophane amides
  作者：Perumal Rajakumar、A. Mohammed Abdul Rasheed

  DOI：10.1016/j.tet.2005.03.064

  日期：2005.5

  Various novel cyclophane amides with a large cavity have been synthesized. The structures of cyclophane amides 14 and 15 were resolved using XRD studies. Cyclophane amide 28 shows a shift in lambda(max) in the UV/Vis. spectra when treated with Cu (II) ion as well as with Ph(II) ion. Ion transportation studies were carried out with cyclophane amide 14 which proved that the Na+ ion passes through the cavity while K+ ions are retained. (c) 2005 Elsevier Ltd. All rights reserved.
• Synthesis and study of anti-inflammatory activity of some novel cyclophane amides
  作者：Perumal Rajakumar、A. Mohammed Abdul Rasheed、A. Iman Rabia、D. Chamundeeswari

  DOI：10.1016/j.bmcl.2006.08.124

  日期：2006.12

  Macrocyclic di- and tetra-amides with thia- and oxylinkages were synthesized and screened for in vitro anti-inflammatory activity. Cyclophane diamide 15 showed a dose-dependent activity, while the other cyclophane amides 16-20 exhibited mild activity. (c) 2006 Elsevier Ltd. All rights reserved.