2,2-bis-(4-methoxyphenyl)-6-styryl-2H-[1]benzopyran | 1338224-83-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2,2-bis-(4-methoxyphenyl)-6-styryl-2H-[1]benzopyran
• 英文别名: 2,2-bis(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]chromene
• CAS: 1338224-83-1
• 化学式: C₃₁H₂₆O₃
• 分子量: 446.546
• InChiKey: QKCROXMKWXBYQG-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苄基三苯基氯化膦 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 、 hexanes 、 正己烷 、 甲苯 为溶剂， 反应 1.5h， 生成 2,2-bis-(4-methoxyphenyl)-6-styryl-2H-[1]benzopyran
  参考文献：
  名称：

  The synthesis and photochromism of a 2,2-diaryl-6-styryl-2H-[1]benzopyran: Unexpected palladium-mediated ring-contraction of a 6-bromo-2,2-diaryl-2H-[1]benzopyran

  摘要：

  The ligand-free Pd-mediated reaction between styrene and a 6-bromo-2,2-diaryl-2H-[1]benzopyran proceeded anomalously to give a 2-(diarylmethyl)-5-styrylbenzofuran via a tandem Heck coupling - ring-contraction process; none of the styryl substituted 2,2-diaryl-2H-[1]benzopyran was observed. A 2,2-diaryl-6-styryl-2H-[1]benzopyran resulted from the condensation between 4-hydroxystilbene and a 1,1-diarylpropynol and which exhibited photochromism through the reversible electrocyclisation of the pyran unit; no isomerisation - electrocyclisation of the stilbene moiety was detected. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.05.005

文献信息

• The synthesis and photochromism of a 2,2-diaryl-6-styryl-2H-[1]benzopyran: Unexpected palladium-mediated ring-contraction of a 6-bromo-2,2-diaryl-2H-[1]benzopyran
  作者：Christopher D. Gabbutt、B. Mark Heron、Colin Kilner、Suresh B. Kolla

  DOI：10.1016/j.dyepig.2011.05.005

  日期：2012.2

  The ligand-free Pd-mediated reaction between styrene and a 6-bromo-2,2-diaryl-2H-[1]benzopyran proceeded anomalously to give a 2-(diarylmethyl)-5-styrylbenzofuran via a tandem Heck coupling - ring-contraction process; none of the styryl substituted 2,2-diaryl-2H-[1]benzopyran was observed. A 2,2-diaryl-6-styryl-2H-[1]benzopyran resulted from the condensation between 4-hydroxystilbene and a 1,1-diarylpropynol and which exhibited photochromism through the reversible electrocyclisation of the pyran unit; no isomerisation - electrocyclisation of the stilbene moiety was detected. (C) 2011 Elsevier Ltd. All rights reserved.