1-(4-fluorophenyl)-1-methyl-3H-2-benzofuran-5-carbonitrile | 1093187-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: 1-(4-fluorophenyl)-1-methyl-3H-2-benzofuran-5-carbonitrile
• CAS: 1093187-42-8
• 化学式: C₁₆H₁₂FNO
• 分子量: 253.276
• InChiKey: CVFFLSRSEOPORM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-氟苯基)-1,3-二氢异苯并呋喃-5-腈 、 碘甲烷 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 生成 1-(4-fluorophenyl)-1-methyl-3H-2-benzofuran-5-carbonitrile
  参考文献：
  名称：

  Response to the Comments by Elati et al. in Response to Our Article Examining One of Their Previous Articles

  摘要：

  This reply highlights and discusses what we observe as internal inconsistencies in the data and analysis presented by Elati and coauthors in conjunction with their resolution protocols, as well as inconsistencies between their original manuscript, the associated patent, and the response to our disputing manuscript. We address also their comments concerning their alkylation procedures.

  DOI：

  10.1021/op800252w

文献信息

• Response to the Comments by Elati et al. in Response to Our Article Examining One of Their Previous Articles
  作者：Robert James Dancer、Heidi Lopez De Diego

  DOI：10.1021/op800252w

  日期：2009.1.16

  This reply highlights and discusses what we observe as internal inconsistencies in the data and analysis presented by Elati and coauthors in conjunction with their resolution protocols, as well as inconsistencies between their original manuscript, the associated patent, and the response to our disputing manuscript. We address also their comments concerning their alkylation procedures.