3,4-Dimethyl-3-phenyl-pentansaeure | 2977-39-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3,4-Dimethyl-3-phenyl-pentansaeure
• 英文别名: 3,4-dimethyl-3-phenyl-valeric acid；3,4-Dimethyl-3-phenyl-valeriansaeure；3,4-Dimethyl-3-phenylpentanoic acid
• CAS: 2977-39-1
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: JRGNTPMLTUAAQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  3,4-Dimethyl-3-phenyl-pentansaeure 在 PPA 作用下， 生成 3-isopropyl-3-methyl-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  The Synthesis and Attempted Rearrangement of a Blocked Dienone

  摘要：

  DOI：

  10.1021/jo01020a017
• 作为产物：
  描述：

  (E,Z)-2-cyano-3,4-dimethyl-2-pentanoic acid ethyl ester 在 氢氧化钾 、 copper(l) chloride 作用下， 以 乙醚 、 二乙二醇 为溶剂， 生成 3,4-Dimethyl-3-phenyl-pentansaeure
  参考文献：
  名称：

  The Synthesis and Attempted Rearrangement of a Blocked Dienone

  摘要：

  DOI：

  10.1021/jo01020a017

文献信息

• Data extraction from the web based on pre-defined schema
  作者：Xiaofeng Meng、Hongjun Lu、Haiyan Gang、Mingzhe Gu

  DOI：10.1007/bf02943278

  日期：2002.7

  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.