(E)-3-(2-(6-(diethylamino)benzo[b]furan-2-yl)vinyl)-5,5-dimethylcyclohex-2-enone | 1254835-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (E)-3-(2-(6-(diethylamino)benzo[b]furan-2-yl)vinyl)-5,5-dimethylcyclohex-2-enone
• 英文别名: 3-[(E)-2-[6-(diethylamino)-1-benzofuran-2-yl]ethenyl]-5,5-dimethylcyclohex-2-en-1-one
• CAS: 1254835-68-1
• 化学式: C₂₂H₂₇NO₂
• 分子量: 337.462
• InChiKey: XMOSDUWOKXFCBA-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  33.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-(2-(6-(diethylamino)benzo[b]furan-2-yl)vinyl)-5,5-dimethylcyclohex-2-enone 、 乙腈 在 正己基锂 、 水 、 氯化铵 作用下， 以 四氢呋喃 、 正己烷 、 乙醚 为溶剂， 反应 0.83h， 生成
  参考文献：
  名称：

  Preparation of Cyan Dyes from 6-Diethylaminobenzo[b]furan-2-carboxaldehyde

  摘要：

  6-Diethylaminobenzo[b]furan-2-carboxaldehyde was synthesized in four steps and 48% overall yield starting from 4-diethylaminosalicylaldehyde. Five cyan dyes were made from this aldehyde using malononitrile dimer and 2-dicyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran. The crystal structures of two dyes are included.

  DOI：

  10.1080/00397910903351568
• 作为产物：
  描述：

  异佛尔酮 、 6-diethylaminobenzo[b]furan-2-carbaldehyde 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以93%的产率得到(E)-3-(2-(6-(diethylamino)benzo[b]furan-2-yl)vinyl)-5,5-dimethylcyclohex-2-enone
  参考文献：
  名称：

  Preparation of Cyan Dyes from 6-Diethylaminobenzo[b]furan-2-carboxaldehyde

  摘要：

  6-Diethylaminobenzo[b]furan-2-carboxaldehyde was synthesized in four steps and 48% overall yield starting from 4-diethylaminosalicylaldehyde. Five cyan dyes were made from this aldehyde using malononitrile dimer and 2-dicyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran. The crystal structures of two dyes are included.

  DOI：

  10.1080/00397910903351568

文献信息

• Preparation of Cyan Dyes from 6-Diethylaminobenzo[<i>b</i>]furan-2-carboxaldehyde
  作者：Matthew C. Davis、Thomas J. Groshens、Damon A. Parrish

  DOI：10.1080/00397910903351568

  日期：2010.9.20

  6-Diethylaminobenzo[b]furan-2-carboxaldehyde was synthesized in four steps and 48% overall yield starting from 4-diethylaminosalicylaldehyde. Five cyan dyes were made from this aldehyde using malononitrile dimer and 2-dicyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran. The crystal structures of two dyes are included.