[2-(2-Chloro-benzyl)-phenyl]-acetic acid | 21131-62-4

• 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-Chloro-benzyl)-phenyl]-acetic acid
• 英文别名: 2-[2-[(2-Chlorophenyl)methyl]phenyl]acetic acid
• CAS: 21131-62-4
• 化学式: C₁₅H₁₃ClO₂
• 分子量: 260.72
• InChiKey: KANMVICUKRMNFU-UHFFFAOYSA-N

物化性质

• 沸点：
  408.2±30.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [2-(2-Chloro-benzyl)-phenyl]-acetic acid 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 4-Chlor-11-oxodibenzocycloheptadien
  参考文献：
  名称：

  Design, synthesis and SAR of phenylamino-substituted 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones and 11H-dibenzo[b,f]oxepin-10-ones as p38 MAP kinase inhibitors

  摘要：

  The p38 MAP kinase is a key enzyme in inflammatory diseases as it is involved in the biosynthesis of proinflammatory cytokines such as TNF-alpha and IL-1 beta. Small molecule p38 inhibitors suppress the production of these cytokines and therefore p38 is a promising drug target for novel anti-inflammatory therapeutics. In this study, we report the design, synthesis, and SAR of novel N-substituted 11H-dibenzo[b,f]oxepin-10-ones and 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones as p38 inhibitors. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.107
• 作为产物：
  描述：

  1-(Bromomethyl)-2-[(2-chlorophenyl)methyl]benzene 在 氢氧化钾 作用下， 生成 [2-(2-Chloro-benzyl)-phenyl]-acetic acid
  参考文献：
  名称：

  Fouche; Blondel; Horclois, Bulletin de la Societe Chimique de France, 1972, vol. 8, p. 3113 - 3130

  摘要：

  DOI：

文献信息

• Fouche; Blondel; Horclois, Bulletin de la Societe Chimique de France, 1972, vol. 8, p. 3113 - 3130
  作者：Fouche、Blondel、Horclois、James、Leger、Poiget

  DOI：——

  日期：——
• Design, synthesis and SAR of phenylamino-substituted 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones and 11H-dibenzo[b,f]oxepin-10-ones as p38 MAP kinase inhibitors
  作者：Angelika Dorn、Verena Schattel、Stefan Laufer

  DOI：10.1016/j.bmcl.2010.03.107

  日期：2010.5

  The p38 MAP kinase is a key enzyme in inflammatory diseases as it is involved in the biosynthesis of proinflammatory cytokines such as TNF-alpha and IL-1 beta. Small molecule p38 inhibitors suppress the production of these cytokines and therefore p38 is a promising drug target for novel anti-inflammatory therapeutics. In this study, we report the design, synthesis, and SAR of novel N-substituted 11H-dibenzo[b,f]oxepin-10-ones and 5,11-dihydro-dibenzo[a,d]cyclohepten-10-ones as p38 inhibitors. (C) 2010 Elsevier Ltd. All rights reserved.