Dimethyl 2,2'-bis(methoxymethoxy)-1,1'-binaphthalene-3,3'-dicarboxylate | 263744-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Dimethyl 2,2'-bis(methoxymethoxy)-1,1'-binaphthalene-3,3'-dicarboxylate
• 英文别名: methyl 4-[3-methoxycarbonyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carboxylate
• CAS: 263744-23-6；915779-65-6；861114-44-5
• 化学式: C₂₈H₂₆O₈
• 分子量: 490.51
• InChiKey: JIDOOCUCGOXBKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  Dimethyl 2,2'-bis(methoxymethoxy)-1,1'-binaphthalene-3,3'-dicarboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到(R)-(-)-3,3'Bis(hydroxymethyl)-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene
  参考文献：
  名称：

  Synthesis of 2,2'-Bipyridines with Axially Chiral 1,1'-Binaphthalene Units

  摘要：

  本文介绍了一系列新型2,2'-联吡啶配基的合成，这些配基带有轴手性的2,2'-二烷氧基-1,1'-联萘基团。氧二甲基、酰胺甲基和酰胺间隔被用来连接联萘骨架的3或3,3'位置和2,2'-联吡啶基团的6或6,6'位置。这些配基既可以合成为外消旋体，也可以合成为对映纯的R形式。

  DOI：

  10.1135/cccc20000083
• 作为产物：
  描述：

  S-1,1'-联-2-萘酚 在 正丁基锂 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 Dimethyl 2,2'-bis(methoxymethoxy)-1,1'-binaphthalene-3,3'-dicarboxylate
  参考文献：
  名称：

  Exploring the Complex Folding Kinetics of RNA Hairpins: II. Effect of Sequence, Length, and Misfolded States

  摘要：

  The complexity of RNA hairpin folding arises from the interplay between the loop formation, the disruption of the slow-breaking misfolded states, and the formation of the slow-forming native base stacks. We investigate the general physical mechanism for the dependence of the RNA hairpin folding kinetics on the sequence and the length of the hairpin loop and the helix stem. For example, 1), the folding would slow down when a stable GC basepair moves to the middle of the stem; 2), hairpin with GC basepair near the loop would fold/unfold faster than the one with GC near the tail of the stem; 3), within a certain range of the stem length, a longer stem can cause faster folding; and 4), certain misfolded states can assist folding through the formation of scaffold structures to lower the entropic barrier for the folding. All our findings are directly applicable and quantitatively testable in experiments. In addition, our results can be useful for molecular design to achieve desirable fast/slow-folding hairpins, hairpins with/without specific misfolded intermediates, and hairpins that fold along designed pathways.

  DOI：

  10.1529/biophysj.105.062950