3,3'-Bis-[bis-(2,5-dimethyl-phenyl)-hydroxy-methyl]-[1,1']binaphthalenyl-2,2'-diol | 905569-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3'-Bis-[bis-(2,5-dimethyl-phenyl)-hydroxy-methyl]-[1,1']binaphthalenyl-2,2'-diol
• CAS: 905569-20-2
• 化学式: C₅₄H₅₀O₄
• 分子量: 762.989
• InChiKey: USEAVJJSOJTCPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.11
• 重原子数：
  58.0
• 可旋转键数：
  7.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  80.92
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3,3'-Bis-[bis-(2,5-dimethyl-phenyl)-hydroxy-methyl]-[1,1']binaphthalenyl-2,2'-diol 在 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 (-)-3,3'-di(2,5-dimethylphenyl)methyl-2,2'-dihydroxyl-1,1'-binaphthalene
  参考文献：
  名称：

  Synthesis and Application of 3,3′-Diarylmethyl BINOLs

  摘要：

  合成了一类新的3,3′-二芳基甲基BINOL衍生物，并将其应用于二乙基锌对醛的催化不对称加成反应。这些手性二醇辅助剂可以作为催化剂使用，而无需添加Ti(i-PrO)4，并表现出前所未有的催化活性和对映选择性（最高可达94%的对映体过量，催化剂负载量为5摩尔%）。

  DOI：

  10.1055/s-2006-932475
• 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， 反应 4.0h， 生成 3,3'-Bis-[bis-(2,5-dimethyl-phenyl)-hydroxy-methyl]-[1,1']binaphthalenyl-2,2'-diol
  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