(E)-4,4-dimethyl-3-phenyl-2-pentenoic acid | 103085-19-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-4,4-dimethyl-3-phenyl-2-pentenoic acid
• 英文别名: (Z)-4,4-dimethyl-3-phenyl-2-pentenoic acid；(E)-3-t-butylcinnamic acid；2.2-dimethyl-3-phenyl-penten-(3c)-oic acid-(5)；2.2-dimethyl-3-phenyl-penten-(3t)-oic acid-(5)；2.2-Dimethyl-3-phenyl-penten-(3c)-saeure-(5)；2.2-Dimethyl-3-phenyl-penten-(3t)-saeure-(5)；4,4-dimethyl-3-phenylpent-2-enoic acid
• CAS: 103085-19-4
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: KOMHOIYXTWCAFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (E)-4,4-dimethyl-3-phenyl-2-pentenoic acid 在 硫酸 作用下， 反应 4.0h， 以72%的产率得到3,4-dimethyl-3-phenyl-γ-valerolactone
  参考文献：
  名称：

  由（E）-β-烷基肉桂酸合成γ-内酯时的碳离子重排

  摘要：

  基于氘化和13 C NMR实验，讨论了在（E）-β-叔丁基肉桂酸的内酯化过程中桥碳鎓离子中间体的可能形成。

  DOI：

  10.1016/s0040-4039(00)99910-6
• 作为产物：
  描述：

  ethyl 3-hydroxy-4,4-dimethyl-3-phenylpentanoate 在 potassium carbonate 、 乙酰氯 作用下， 生成 (E)-4,4-dimethyl-3-phenyl-2-pentenoic acid
  参考文献：
  名称：

  Data extraction from the web based on pre-defined schema

  摘要：

  With the development of the Internet, the World Wide Web has become an invaluable information source for most organizations. However, most documents available from the Web are in HTML form which is originally designed for document formatting with little consideration of its contents. Effectively extracting data from such documents remains a non-trivial task. In this paper, we present a schema-guided approach to extracting data from HTML pages. Under the approach, the user defines a schema specifying what to be extracted and provides sample mappings between the schema and the HTML page. The system will induce the mapping rules and generate a wrapper that takes the HTML page as input and produces the required data in the form of XML conforming to the user-defined schema. A prototype system implementing the approach has been developed. The preliminary experiments indicate that the proposed semi-automatic approach is not only easy to use but also able to produce a wrapper that extracts required data from inputted pages with high accuracy.

  DOI：

  10.1007/bf02943278

文献信息

• Jalander, Lars; Iambolieva, Kostadinka; Sundstroem, Viola, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1980, vol. 34, # 10, p. 715 - 720
  作者：Jalander, Lars、Iambolieva, Kostadinka、Sundstroem, Viola

  DOI：——

  日期：——