1-[β-(4-Nitro-phenyl)-vinyl]-azulen | 2011-41-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 1-[β-(4-Nitro-phenyl)-vinyl]-azulen
• 英文别名: 1-[2-(4-Nitrophenyl)ethenyl]azulene；1-[2-(4-nitrophenyl)ethenyl]azulene
• CAS: 2011-41-8
• 化学式: C₁₈H₁₃NO₂
• 分子量: 275.307
• InChiKey: HEQBUUPDCZXJIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  奥苷菊环 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium tert-butylate 、 三氯氧磷 作用下， 反应 2.5h， 生成 1-[β-(4-Nitro-phenyl)-vinyl]-azulen
  参考文献：
  名称：

  Push-pull azulene-based chromophores with nonlinear optical properties

  摘要：

  A new chromophore 6-methoxy-1-[2-(4-nitrophenyl)ethenyl]-azulene was synthesized and tested for the Second Harmonic Generation (SHG) in solid state by the Kurtz powder technique. This compound was sis times more efficient (58 times than the urea standard) than the unsubstituted compound 1-[2-(4-nitrophenyl)ethenyl]-azulene (10 times than the urea). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01495-6

文献信息

• Push-pull azulene-based chromophores with nonlinear optical properties
  作者：Gabriel Iftime、Pascal G. Lacroix、Keitaro Nakatani、Alexandru C. Razus

  DOI：10.1016/s0040-4039(98)01495-6

  日期：1998.9

  A new chromophore 6-methoxy-1-[2-(4-nitrophenyl)ethenyl]-azulene was synthesized and tested for the Second Harmonic Generation (SHG) in solid state by the Kurtz powder technique. This compound was sis times more efficient (58 times than the urea standard) than the unsubstituted compound 1-[2-(4-nitrophenyl)ethenyl]-azulene (10 times than the urea). (C) 1998 Elsevier Science Ltd. All rights reserved.