2-amino-4,5-bis(2,5-dimethyl-3-thienyl)furan-3-carbonitrile | 474498-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-amino-4,5-bis(2,5-dimethyl-3-thienyl)furan-3-carbonitrile
• 英文别名: 2-Amino-4,5-bis(2,5-dimethylthiophen-3-yl)furan-3-carbonitrile
• CAS: 474498-13-0
• 化学式: C₁₇H₁₆N₂OS₂
• mdl: MFCD07800081
• 分子量: 328.459
• InChiKey: PGNGJYRCLRHTPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-amino-4,5-bis(2,5-dimethyl-3-thienyl)furan-3-carbonitrile 在 对甲苯磺酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 、 苯 为溶剂， 反应 9.0h， 生成 4-amino-7-(4-chlorophenyl)-10,10-dimethyl-2,3-bis(2,5-dimethyl-3-thienyl)-8-oxo-8,9,10,11-tetrahydro-7H-furo[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
  参考文献：
  名称：

  摘要：

  Procedures were developed for the synthesis of substituted bis(2,5-dimethyl-3-thienyl)furans based on 1,2-bis(2,5-dimethyl-3-thienyl)-2-hydroxyethanone. Dithienylethene structures in which the ethene fragment is involved in the furan or furopyrimidine system possess photochromic properties and their open forms exhibit fluorescence.

  DOI：

  10.1023/a:1015004101130
• 作为产物：
  描述：

  丙二腈 、 1,2-双(2,5-二甲基-3-噻吩基)-2-羟基乙酮 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以81%的产率得到2-amino-4,5-bis(2,5-dimethyl-3-thienyl)furan-3-carbonitrile
  参考文献：
  名称：

  摘要：

  Procedures were developed for the synthesis of substituted bis(2,5-dimethyl-3-thienyl)furans based on 1,2-bis(2,5-dimethyl-3-thienyl)-2-hydroxyethanone. Dithienylethene structures in which the ethene fragment is involved in the furan or furopyrimidine system possess photochromic properties and their open forms exhibit fluorescence.

  DOI：

  10.1023/a:1015004101130

文献信息

• ——
  作者：M. M. Krayushkin、S. N. Ivanov、A. Yu. Martynkin、B. V. Lichitsky、A. A. Dudinov、B. M. Uzhinov

  DOI：10.1023/a:1015004101130

  日期：——

  Procedures were developed for the synthesis of substituted bis(2,5-dimethyl-3-thienyl)furans based on 1,2-bis(2,5-dimethyl-3-thienyl)-2-hydroxyethanone. Dithienylethene structures in which the ethene fragment is involved in the furan or furopyrimidine system possess photochromic properties and their open forms exhibit fluorescence.