3,3'-(Ethane-1,2-diylidene)bis(6-methyl-2-benzofuran-1(3H)-one) | 676263-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: 3,3'-(Ethane-1,2-diylidene)bis(6-methyl-2-benzofuran-1(3H)-one)
• 英文别名: 6-methyl-3-[2-(5-methyl-3-oxo-2-benzofuran-1-ylidene)ethylidene]-2-benzofuran-1-one
• CAS: 676263-58-4
• 化学式: C₂₀H₁₄O₄
• 分子量: 318.329
• InChiKey: RPJMIZRYFKNSBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲基苯酐 、 丁二酸 在 potassium acetate 作用下， 反应 2.0h， 生成 3,3'-(Ethane-1,2-diylidene)bis(6-methyl-2-benzofuran-1(3H)-one) 、
  参考文献：
  名称：

  Synthesis, crystal structures, and photochromic properties of 6,6′ or 7,7′ or 6,7′-dimethyl-[2,2′-bi-1H-indene]-3,3′-diethyl-3,3′-dihydroxy-1,1′-diones

  摘要：

  New photochromic title compounds 1, 2, and 3 have been prepared starting from 4-methylphthalic anhydride. Compounds 3a and 3b are a pair of enantiomers and were obtained as a racemic mixture (numbered as 3). Compounds 1, 2, and 3 were successfully separated from the isomeric mixture product through fractional crystallization, and their structures are confirmed by X-ray crystallographic analysis. UV-vis absorption and photochromic properties of 1, 2, and 3 have also been investigated. Results reveal that the substituents, even like the simple methyl, on the benzene rings of biindenylidenedione could considerably affect the photochromic property, as well as other properties of this kind of compounds. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.030

文献信息

• Synthesis, crystal structures, and photochromic properties of 6,6′ or 7,7′ or 6,7′-dimethyl-[2,2′-bi-1H-indene]-3,3′-diethyl-3,3′-dihydroxy-1,1′-diones
  作者：Yong Chen、Mei-Li Pang、Kai-Ge Cheng、Ying Wang、Jie Han、Zheng-Jie He、Ji-Ben Meng

  DOI：10.1016/j.tet.2007.03.030

  日期：2007.5

  New photochromic title compounds 1, 2, and 3 have been prepared starting from 4-methylphthalic anhydride. Compounds 3a and 3b are a pair of enantiomers and were obtained as a racemic mixture (numbered as 3). Compounds 1, 2, and 3 were successfully separated from the isomeric mixture product through fractional crystallization, and their structures are confirmed by X-ray crystallographic analysis. UV-vis absorption and photochromic properties of 1, 2, and 3 have also been investigated. Results reveal that the substituents, even like the simple methyl, on the benzene rings of biindenylidenedione could considerably affect the photochromic property, as well as other properties of this kind of compounds. (C) 2007 Elsevier Ltd. All rights reserved.