4-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzoic acid | 1192594-68-5

• 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: 4-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzoic acid
• CAS: 1192594-68-5
• 化学式: C₁₇H₂₀O₂
• 分子量: 256.345
• InChiKey: YBITUSBCSSYLNF-ZROIWOOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.53
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  、 对甲酰基苯甲酸甲酯 在 sodium t-butanolate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 4-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzoic acid 、 4-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzoic acid
  参考文献：
  名称：

  Design and synthesis of guanidine-containing novel retinoids

  摘要：

  Guanidine-containing new retinoids 1-4 were synthesized through the addition of guanidine to the activated carboxylic acids (retinoids) promoted by carbonyldiimidazole (CDI). A set of structurally and functionally diverse guanidine derivatives of retinoids were obtained in high yields (78-82%). We are in the process of studying the biological effect of these molecules on retinoic acid signaling pathways. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.008

文献信息

• Design and synthesis of potential new apoptosis agents: hybrid compounds containing perillyl alcohol and new constrained retinoids
  作者：Bhaskar C. Das、Sakkarapalayam M. Mahalingam、Lipsa Panda、Bo Wang、Phillp D. Campbell、Todd Evans

  DOI：10.1016/j.tetlet.2010.01.003

  日期：2010.3

  retinoids 1–3 containing perillyl alcohol were synthesized through the addition of perillyl alcohol to the activated carboxylic acids (retinoids) promoted by DCC (N,N′-dicyclohexyl carbodiimide). A set of structurally and functionally diverse perillyl alcohol derivatives of retinoids were obtained in good yields (78–82%). Biological evaluation of these novel hybrid compounds (containing retinoids and

  通过将紫苏醇添加到由 DCC（N , N'-二环己基碳二亚胺）促进的活化羧酸（类维生素A）中，合成了含有紫苏醇的新型类维生素A 1 – 3。以良好的收率（78-82%）获得了一组结构和功能多样的类维生素A紫苏醇衍生物。我们的实验室目前正在对这些新型混合化合物（含有类维生素A和紫苏醇）进行生物学评估。