(2,5-二甲基苯基)苯甲酸酯 | 15081-25-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: (2,5-二甲基苯基)苯甲酸酯
• 英文名称: benzoic acid 2,5-dimethyl-phenyl ester
• 英文别名: 2,5-dimethylphenyl benzoate；benzoic acid-(2,5-dimethyl-phenyl ester)；Benzoesaeure-(2,5-dimethyl-phenylester)；Benzoesaeure-<2,5-dimethyl-phenylester>；2,5-Dimethylphenylbenzoat；2,5-Xylenyl-benzoat；(2,5-dimethylphenyl) benzoate
• CAS: 15081-25-1
• 化学式: C₁₅H₁₄O₂
• 分子量: 226.275
• InChiKey: KMDCMSZWEZKBGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2,5-二甲基苯基)苯甲酸酯 在 2,6-二甲基吡啶 、 aluminum (III) chloride 、 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 0.5h， 生成 N-(2-amino-phenyl)-2-(4-benzoyl-2,5-dimethyl-phenoxy)-acetamide
  参考文献：
  名称：

  设计和合成二酰胺偶联的二苯甲酮作为潜在的抗癌药。

  摘要：

  一系列二酰胺偶联的二苯甲酮2-（4-苯甲酰基-苯氧基）-N- {2- [2-（2-（4-苯甲酰基-苯氧基）-乙酰氨基]-苯基}-乙酰胺类似物（9a-1）的合成多步反应和所有化合物都得到了很好的表征。在系列（9a-1）中，通过对多种癌细胞类型进行筛选，选择了在环A，B和D的邻位具有三个甲基，在环E的对位具有溴基的化合物9k作为先导化合物。体外细胞毒性和抗增殖测定系统。而且，化合物9k的细胞毒性性质导致体内肿瘤生长的退化，这可能是由于小鼠腹膜衬里血管生成减少导致肿瘤生长退化的缘故。

  DOI：

  10.1016/j.ejmech.2016.03.040
• 作为产物：
  描述：

  2,5-二甲基苯酚 生成 (2,5-二甲基苯基)苯甲酸酯
  参考文献：
  名称：

  Behal; Choay, Bulletin de la Societe Chimique de France, 1894, vol. <3> 11, p. 603

  摘要：

  DOI：

文献信息

• Homolytic aromatic substitution. Part XXXIV. Major products from the reaction of benzoyl peroxide with p-disubstituted benzenes
  作者：D. I. Davies、D. H. Hey、B. Summers

  DOI：10.1039/j39700002653

  日期：——

  p-tolyl sulphide, or methyl p-tolyl sulphoxide. The major reaction is oxidation at the sulphur atom, which leads to the formation of, in addition to benzoic anhydride, arylthiomethyl and arylsulphinylmethyl benzoates from the aryl sulphides and sulphoxides respectively. There is no evidence that free radicals are involved in the reaction of benzoyl peroxide with these sulphur-containing compounds.

  过氧化苯甲酰与对-二取代苯（不包括具有硫取代基的苯）的反应可导致被苯基和/或苯甲酰氧基自由基取代。产物的形成依赖于取代基的性质，并且可以与哈米特相关联σ p值。在对位取代的甲苯，联苄类的形成与在增加而降低σ p的值对位-取代。在过氧化苯甲酰与甲基苯硫醚，甲基对甲苯硫醚或甲基对苯二酚的反应中，未观察到芳环的苯基化或苯甲酰氧基化。-甲苯基亚砜。主要反应是在硫原子上的氧化，除苯甲酸酐外，还导致分别由芳基硫醚和亚砜形成芳基硫基甲基和芳基亚磺酰基甲基苯甲酸酯。没有证据表明自由基参与过氧化苯甲酰与这些含硫化合物的反应。
• Design and synthesis of diamide-coupled benzophenones as potential anticancer agents
  作者：Zabiulla、H.G. Shamanth Neralagundi、A. Bushra Begum、B.T. Prabhakar、Shaukath Ara Khanum

  DOI：10.1016/j.ejmech.2016.03.040

  日期：2016.6

  A series of diamide-coupled benzophenone, 2-(4-benzoyl-phenoxy)-N-2-[2-(4-benzoyl-phenoxy)-acetylamino]-phenyl}-acetamide analogues (9a-l) were synthesized by multistep reactions and all compounds were well characterized. Among the series (9a-l), compound 9k with three methyl groups at ortho position in rings A, B, and D and bromo group at the para position in ring E was selected as a lead compound

  一系列二酰胺偶联的二苯甲酮2-（4-苯甲酰基-苯氧基）-N- 2- [2-（2-（4-苯甲酰基-苯氧基）-乙酰氨基]-苯基}-乙酰胺类似物（9a-1）的合成多步反应和所有化合物都得到了很好的表征。在系列（9a-1）中，通过对多种癌细胞类型进行筛选，选择了在环A，B和D的邻位具有三个甲基，在环E的对位具有溴基的化合物9k作为先导化合物。体外细胞毒性和抗增殖测定系统。而且，化合物9k的细胞毒性性质导致体内肿瘤生长的退化，这可能是由于小鼠腹膜衬里血管生成减少导致肿瘤生长退化的缘故。
• Palladium-catalyzed non-directed CH benzoxylation of simple arenes with iodobenzene dibenzoates
  作者：Li Li、Ying Wang、Tingting Yang、Qian Zhang、Dong Li

  DOI：10.1016/j.tetlet.2016.11.055

  日期：2016.12

  as both benzoxylate source and oxidant has been developed. The catalytic system was greatly promoted by a pyridine ligand. Good functional groups tolerance was showed in both hypervalent iodine reagents and arene substrates, which can be used for synthesis of aryl benzoates through simple aromatic compounds.

  已开发了以碘代苯二苯甲酸酯作为苯氧基化物源和氧化剂的钯催化的简单芳烃的非定向C H苯氧基化反应。吡啶配体极大地促进了催化体系。高价碘试剂和芳烃底物均显示出良好的官能团耐受性，可用于通过简单的芳族化合物合成芳基苯甲酸酯。
• Kamennov,N.A. et al., Journal of applied chemistry of the USSR, 1967, vol. 40, # 3, p. 624 - 627
  作者：Kamennov,N.A. et al.

  DOI：——

  日期：——
• OBESITY : A MODERN DAY PLAGUE
  作者：YATENDRA KUMAR YADAV

  DOI：10.1016/s0377-1237(02)80016-8

  日期：2002.1

  Obesity is the presence of excess body fat. Unfortunately obesity is taken as a mere cosmetic problem and not a medical one. Today obesity is being 'dealt' with more by the self-proclaimed fitness experts running the rapidly mushrooming fitness centres rather than by medical professionals. But rather than merely a cosmetic problem, obesity should be viewed as a disease because there are multiple biologic hazards at surprisingly low levels of excess fat With the rapid pace of industrialisation and economic progress, today more and more jobs are becoming sedentary and dietary patterns are also changing with a decline in the cereal intake and increase in the intake of sugar and fats. However, inherited physiologic differences in response to eating and exercise are also important factors. Treating obesity can often be a frustrating experience for both the physician and the patient because of the great difficulty in maintaining weight loss over the long term. However, a clear understanding of the causes of obesity and a treatment strategy based on a combination of diet, nutrition, education, exercise, behaviour modification and social support can go a long way in containing this 'modern day plague' before it acquires epidemic proportions.