7,8-Dimethyl-10-[(3,4,5-tridodecoxyphenyl)methyl]benzo[g]pteridine-2,4-dione | 916815-70-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 7,8-Dimethyl-10-[(3,4,5-tridodecoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
• 英文别名: 7,8-dimethyl-10-[(3,4,5-tridodecoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
• CAS: 916815-70-8
• 化学式: C₅₅H₈₈N₄O₅
• 分子量: 885.328
• InChiKey: ZTZYHLUCJKVKKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.4
• 重原子数：
  64
• 可旋转键数：
  38
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7,8-Dimethyl-10-[(3,4,5-tridodecoxyphenyl)methyl]benzo[g]pteridine-2,4-dione 、 N-[6-(propanoylamino)-4-[(3,4,5-tridodecoxyphenyl)methoxy]pyridin-2-yl]propanamide 以 正己烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Molecular recognition-induced liquid crystals from complementary diaminopyridine and flavin dyads

  摘要：

  Complementary diaminopyridine-flavin dyads that provide liquid crystalline systems have been synthesised. The mesophases possess well-defined molecular architectures, thermal stability and wide ranges. Furthermore, chiral centres have been introduced to explore the role chirality plays on the end morphology. The introduction of stereo-centres into these systems offers effective control over mesophase morphology and generates well-defined columnar liquid crystals.

  DOI：

  10.1080/10610278.2010.506540
• 作为产物：
  描述：

  3,4,5–三十二烷氧基苄氯 在 boron trioxide 、 三乙胺 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 96.5h， 生成 7,8-Dimethyl-10-[(3,4,5-tridodecoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
  参考文献：
  名称：

  Chiral Translation and Cooperative Self-Assembly of Discrete Helical Structures Using Molecular Recognition Dyads

  摘要：

  Complementary diaminopyridine (DAP) and flavin derivatives self-assemble into discrete helically stacked tetrads in hydrocarbon solvents. The self-assembled structure was demonstrated through induced circular dichroism using DAPs with chiral side-chains and flavin with achiral side-chains. Flavin derivatives with chiral side-chains were synthesized; cooperativity in the self-assembly was established through circular dichroism (CD) profiles and melting curves. It was found that placing stereocenters in both recognition units resulted in a strong bisignated profile and enhancement of complex stability, indicative of cooperative self-assembly.

  DOI：

  10.1021/ja064554z