(E)-3-(5-((2,6-diphenyl-4H-pyran-4-ylidene)methyl)thiazol-2-yl)acrylaldehyde | 1388020-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-3-(5-((2,6-diphenyl-4H-pyran-4-ylidene)methyl)thiazol-2-yl)acrylaldehyde
• CAS: 1388020-66-3
• 化学式: C₂₄H₁₇NO₂S
• 分子量: 383.47
• InChiKey: VKZWNEARORAQEF-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-3-(5-((2,6-diphenyl-4H-pyran-4-ylidene)methyl)thiazol-2-yl)acrylaldehyde 、 丙二腈 以 乙醇 为溶剂， 反应 3.0h， 以28%的产率得到(E)-2-(3-(5-((2,6-diphenyl-4H-pyran-4-ylidene)methyl)thiazol-2-yl)allylidene)malononitrile
  参考文献：
  名称：

  Influence of thiazole regioisomerism on second-order nonlinear optical chromophores

  摘要：

  Two series of matched and mismatched donor-thiazole-acceptor chromophores have been synthesized to disclose the role that the orientation of the thiazole ring plays on their second-order nonlinear optical (NLO) properties. Whereas previous theoretical studies predict that the matched systems show markedly higher NLO responses, our experimental results do not parallel this trend, showing differences between regioisomers much lower than those predicted. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.123
• 作为产物：
  描述：

  2,6-diphenyl-(4H-pyran-4ylidene)-diphenylphosphine oxide 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 生成 (E)-3-(5-((2,6-diphenyl-4H-pyran-4-ylidene)methyl)thiazol-2-yl)acrylaldehyde
  参考文献：
  名称：

  Influence of thiazole regioisomerism on second-order nonlinear optical chromophores

  摘要：

  Two series of matched and mismatched donor-thiazole-acceptor chromophores have been synthesized to disclose the role that the orientation of the thiazole ring plays on their second-order nonlinear optical (NLO) properties. Whereas previous theoretical studies predict that the matched systems show markedly higher NLO responses, our experimental results do not parallel this trend, showing differences between regioisomers much lower than those predicted. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.123