(E)-4-oxoundec-2-enoic acid | 68676-82-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: (E)-4-oxoundec-2-enoic acid
• 英文别名: 4-oxo-undec-2t-enoic acid；4-oxo-undec-2-enoic acid；4-Oxo-undec-2t-ensaeure；4-Oxo-undec-2-ensaeure
• CAS: 68676-82-4
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: MLSIPZCJRMGXRM-CMDGGOBGSA-N

物化性质

• 沸点：
  337.5±25.0 °C(Predicted)
• 密度：
  1.014±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  14.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  54.37
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (E)-4-oxoundec-2-enoic acid 在 盐酸 、 丙酮 、 锌 作用下， 生成 4-氧代十一烷酸
  参考文献：
  名称：

  Keskin, 1950, vol. 15, p. 54,63

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基辛醛 在 氢氧化钾 、 溶剂黄146 作用下， 生成 (E)-4-oxoundec-2-enoic acid
  参考文献：
  名称：

  Random Packs and Their Use in Modeling Heterogeneous Solid Propellant Combustion

  摘要：

  It is shown that random packs of spheres of various sizes can be constructed that model ammonium-perchloratein-binder propellants in the sense that both the size distributions and the packing fractions of industrial propellant packs can be matched, Strategies for dealing with fractional numbers of large particles are addressed, as are strategies for dealing with a large number of very fine particles (fine powder), Fine powder is necessary in a three-dimensional pack to achieve the required stoichiometric ratio of ammonium perchlorate to fuel binder, but is not necessary in a two-dimensional (disk) pack, Some preliminary calculations of the two-dimensional combustion field supported by a disk pack are presented, in which full coupling between the gas phase, the condensed phase, and the retreating nonplanar propellant surface is accounted for.

  DOI：

  10.2514/2.5820

文献信息

• Synthesis and structure–activity relationship of berkeleylactone A-derived antibiotics
  作者：Tomáš Malatinský、Dominika Valachová、Lucia Pinčeková、David Scherhaufer、Petra Olejníková、Magdaléna Májeková、Jarmila Vargová、Barbora Gaálová-Radochová、Helena Bujdáková、Jana Nováčiková、Alistair J. M. Farley、Dušan Berkeš、Pavol Jakubec、Andrej Kolarovič、Oľga Caletková

  DOI：10.1039/d2ob01452a

  日期：——

  Berkeleylactone A is a potent 16-membered macrolactone antibiotic, recently isolated from a coculture of Berkeley Pit Lake fungi. Although its antimicrobial activity has already been investigated, little is known about the structure–activity relationship. Based on our previous synthetic studies, a series of berkeleylactone A derivatives were synthesized and evaluated for their in vitro antimicrobial

  Berkeleylactone A 是一种有效的 16 元大环内酯抗生素，最近从 Berkeley Pit Lake 真菌的共培养物中分离出来。尽管已经对其抗菌活性进行了研究，但对其构效关系知之甚少。基于我们之前的合成研究，合成了一系列伯克利内酯 A 衍生物，并评估了它们对甲氧西林敏感和耐甲氧西林金黄色葡萄球菌(MRSA) 菌株的体外抗菌活性。我们的数据证实了嵌入共轭系统的重要作用，并表明迈克尔受体的可逆磺胺保护是一种可行的选择。结构简化的非手性大环内酰胺8显示出最佳的抑制活性S. aureus L12 (MRSA) 的 MIC 50值为 0.39 μg mL -1，比伯克利内酯 A 低 8 倍。这些研究可能对开发更先进的抗生素应用候选物具有价值。
• Ernest; Jelinkova, Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 3341,3345
  作者：Ernest、Jelinkova

  DOI：——

  日期：——
• Keskin, Istanbul Universitesi Fen Fakultesi Mecmuasi, Seri A: Matematik-Fizik-Kimya, 1950, vol. 15, p. 54,58
  作者：Keskin

  DOI：——

  日期：——