2,5-dioxopyrrolidin-1-yl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate | 445312-23-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,5-dioxopyrrolidin-1-yl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
• CAS: 445312-23-2
• 化学式: C₁₉H₂₇NO₄
• 分子量: 333.428
• InChiKey: FHNYPXAFDCCLPL-RNPYNJAESA-N

物化性质

• 沸点：
  446.1±55.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  24.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.68
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,5-dioxopyrrolidin-1-yl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate 在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以96%的产率得到(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienamide
  参考文献：
  名称：

  Evaluation of Morphogenic Regulatory Activity of Farnesoic acid and Its Derivatives against Candida albicans Dimorphism

  摘要：

  A series of farnesoic acid derivatives was prepared and their morphogenic regulatory activities were evaluated. Their inhibitory activities against yeast cell growth and yeast-to-hypha transition examined in Candida albicans cells are dependent upon the chain length as well as the substitution patterns on the isoprenoid template. The preliminary structure-activity relationship of these compounds is described to elucidate the essential structural requirements. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00038-0
• 作为产物：
  描述：

  farnesol 在 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 、 pyridine-SO3 complex 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 、 叔丁醇 为溶剂， 反应 13.0h， 生成 2,5-dioxopyrrolidin-1-yl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
  参考文献：
  名称：

  Evaluation of Morphogenic Regulatory Activity of Farnesoic acid and Its Derivatives against Candida albicans Dimorphism

  摘要：

  A series of farnesoic acid derivatives was prepared and their morphogenic regulatory activities were evaluated. Their inhibitory activities against yeast cell growth and yeast-to-hypha transition examined in Candida albicans cells are dependent upon the chain length as well as the substitution patterns on the isoprenoid template. The preliminary structure-activity relationship of these compounds is described to elucidate the essential structural requirements. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00038-0