9-Carbomethoxy-anthracene dimer | 81795-34-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9-Carbomethoxy-anthracene dimer
• 英文别名: dimethyl heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaene-1,9-dicarboxylate
• CAS: 81795-34-8
• 化学式: C₃₂H₂₄O₄
• 分子量: 472.54
• InChiKey: RRXFVTRPLMVLHX-UHFFFAOYSA-N

物化性质

• 沸点：
  493.1±45.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  9-蒽羧酸甲酯 反应 8.0h， 生成 9-Carbomethoxy-anthracene dimer
  参考文献：
  名称：

  Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds

  摘要：

  剑桥晶体数据中心提供了有价值的数据，用于分析和检测那些在固态下可能发生光二聚反应的化合物。对蒽衍生物的这种分析表明，有许多化合物的晶体堆积满足了固态下[4 + 4]光二聚反应的需求。描述了各种纯净的酰基蒽在暴露于紫外光前后晶体结构的改变，并将二聚体的分子结构与那些通过暴露于具有光稳定性的主体分子（1,1,6,6-四苯基-2,4-己二炔-1,6-二醇）和光敏感的酰基蒽的分子化合物所得到的二聚体进行比较。尽管暴露于紫外光的纯净化合物会导致单晶的解体，但分子化合物中的反应在达到一定转化率之前，是以单晶到单晶的方式进行的，随后才发生解体。

  DOI：

  10.1039/c0ce00739k

文献信息

• Low-Temperature Emission Spectra of 9-Alkylanthracene Esters:Dimer Photodecomposition and Monomer Pair Interactions in Polymer Hosts
  作者：Kimberly Salt、Gary W. Scott

  DOI：10.1021/j100091a009

  日期：1994.10

  Effects due to variation in the alkyl chain length of photodimers of 9-alkylanthracene esters on their photodecomposition efficiencies at 12 K and, by implication, the photoproduct migration as a function of temperature within polymer hosts are investigated. It is shown that dimers with longer alkyl chains have a lower photodecomposition efficiency. The extent of photoproduct migration within the polymer following photodecomposition was also studied as a function of alkyl chain length. This migration and its modulation of the interaction between the separating monomers is shown to affect the emission spectrum. Thus, monomer migration was studied in temperature cycling experiments, It was also found, for the polymer hosts investigated-poly(methyl methacrylate), poly(vinyl chloride), and polystyrene-that these properties are host dependent. This result is probably due to the void space differences that exist among these polymers.
• Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds
  作者：I. Zouev、Den-Ke Cao、T. V. Sreevidya、M. Telzhensky、M. Botoshansky、M. Kaftory

  DOI：10.1039/c0ce00739k

  日期：——

  The Cambridge Crystallographic Data Center provides valuable data for analysis and detection of compounds with potential to undergo photodimerization in the solid-state. Such analysis is presented for anthracene derivatives, and showed that there are many compounds that their packing in the crystal meets the requirement needed for [4 + 4] photodimerization in the solid-state. The crystal structures of various neat acyl anthracenes before and after exposure to UV light are described and the molecular structures of the dimers are compared with those obtained by exposing molecular compounds possessing a light-stable host (1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol) and light-sensitive acyl anthracenes. While exposing neat compounds to UV light causes disintegration of the single crystal, the reaction in the molecular compounds proceeds in a single-crystal to single-crystal mode until a certain rate of conversion, and then disintegrates.

  剑桥晶体数据中心提供了有价值的数据，用于分析和检测那些在固态下可能发生光二聚反应的化合物。对蒽衍生物的这种分析表明，有许多化合物的晶体堆积满足了固态下[4 + 4]光二聚反应的需求。描述了各种纯净的酰基蒽在暴露于紫外光前后晶体结构的改变，并将二聚体的分子结构与那些通过暴露于具有光稳定性的主体分子（1,1,6,6-四苯基-2,4-己二炔-1,6-二醇）和光敏感的酰基蒽的分子化合物所得到的二聚体进行比较。尽管暴露于紫外光的纯净化合物会导致单晶的解体，但分子化合物中的反应在达到一定转化率之前，是以单晶到单晶的方式进行的，随后才发生解体。