(Z)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enenitrile | 1373444-62-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (Z)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enenitrile
• CAS: 1373444-62-2
• 化学式: C₁₀H₉NO₂
• 分子量: 175.187
• InChiKey: FCFHABURBVXGCI-HYXAFXHYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,3-二羟基苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 1.0h， 生成 (Z)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enenitrile 、 (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enenitrile
  参考文献：
  名称：

  Syntheses and X-Ray Crystal Structures of Cassiferaldehyde and Analogs

  摘要：

  Cassiferaldehyde, a recently discovered naturally occurring tyrosinase inhibitor, and six of its analogs, in which the aldehyde group has been replaced by various other functionalities, have been synthesized by a short and simple sequence starting from 2,3-dihydroxybenzaldehyde. Single-crystal x-ray structures of cassiferaldehyde as well as its methyl ketone, nitrile, and carboxylic acid analogs are reported.

  DOI：

  10.1080/00397911.2010.523921

文献信息

• Syntheses and X-Ray Crystal Structures of Cassiferaldehyde and Analogs
  作者：Jessica L. Levasseur、Dasan M. Thamattoor

  DOI：10.1080/00397911.2010.523921

  日期：2012.1.15

  Cassiferaldehyde, a recently discovered naturally occurring tyrosinase inhibitor, and six of its analogs, in which the aldehyde group has been replaced by various other functionalities, have been synthesized by a short and simple sequence starting from 2,3-dihydroxybenzaldehyde. Single-crystal x-ray structures of cassiferaldehyde as well as its methyl ketone, nitrile, and carboxylic acid analogs are reported.